PubChemLite - Urea, n,n''-(methylenedi-4,1-phenylene)bis(n'-(3-(triethoxysilyl)propyl)- (C33H56N4O8Si2)

Structural Information

Molecular Formula

SMILES

CCO[Si](CCCNC(=O)NC1=CC=C(C=C1)CC2=CC=C(C=C2)NC(=O)NCCC[Si](OCC)(OCC)OCC)(OCC)OCC

InChI

InChI=1S/C33H56N4O8Si2/c1-7-40-46(41-8-2,42-9-3)25-13-23-34-32(38)36-30-19-15-28(16-20-30)27-29-17-21-31(22-18-29)37-33(39)35-24-14-26-47(43-10-4,44-11-5)45-12-6/h15-22H,7-14,23-27H2,1-6H3,(H2,34,36,38)(H2,35,37,39)

InChIKey

MGOJPIZXADUSRC-UHFFFAOYSA-N

Compound name

1-(3-triethoxysilylpropyl)-3-[4-[[4-(3-triethoxysilylpropylcarbamoylamino)phenyl]methyl]phenyl]urea

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	693.37093	263.5
[M+Na]+	715.35287	259.2
[M-H]-	691.35637	251.6
[M+NH4]+	710.39747	252.5
[M+K]+	731.32681	258.0
[M+H-H2O]+	675.36091	250.5
[M+HCOO]-	737.36185	258.9
[M+CH3COO]-	751.37750	281.5
[M+Na-2H]-	713.33832	263.5
[M]+	692.36310	241.3
[M]-	692.36420	241.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

693.37093

263.5

[M+Na]+

715.35287

259.2

[M-H]-

691.35637

251.6

[M+NH4]+

710.39747

252.5

[M+K]+

731.32681

258.0

[M+H-H2O]+

675.36091

250.5

[M+HCOO]-

737.36185

258.9

[M+CH3COO]-

751.37750

281.5

[M+Na-2H]-

713.33832

263.5

[M]+

692.36310

241.3

[M]-

692.36420

241.3

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Urea, n,n''-(methylenedi-4,1-phenylene)bis(n'-(3-(triethoxysilyl)propyl)-

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe