PubChemLite - Drometrizole trisiloxane (C24H39N3O3Si3)

Structural Information

Molecular Formula

SMILES

CC1=CC(=C(C(=C1)N2N=C3C=CC=CC3=N2)O)CC(C)C[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C

InChI

InChI=1S/C24H39N3O3Si3/c1-18-14-20(15-19(2)17-33(9,29-31(3,4)5)30-32(6,7)8)24(28)23(16-18)27-25-21-12-10-11-13-22(21)26-27/h10-14,16,19,28H,15,17H2,1-9H3

InChIKey

HUVYTMDMDZRHBN-UHFFFAOYSA-N

Compound name

2-(benzotriazol-2-yl)-4-methyl-6-[2-methyl-3-[methyl-bis(trimethylsilyloxy)silyl]propyl]phenol

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]+	502.23720	224.9
[M+Na]+	524.21914	230.8
[M-H]-	500.22264	227.3
[M+NH4]+	519.26374	232.0
[M+K]+	540.19308	226.6
[M+H-H2O]+	484.22718	215.5
[M+HCOO]-	546.22812	235.2
[M+CH3COO]-	560.24377	236.7
[M+Na-2H]-	522.20459	226.2
[M]+	501.22937	232.3
[M]-	501.23047	232.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

502.23720

224.9

[M+Na]+

524.21914

230.8

[M-H]-

500.22264

227.3

[M+NH4]+

519.26374

232.0

[M+K]+

540.19308

226.6

[M+H-H2O]+

484.22718

215.5

[M+HCOO]-

546.22812

235.2

[M+CH3COO]-

560.24377

236.7

[M+Na-2H]-

522.20459

226.2

[M]+

501.22937

232.3

[M]-

501.23047

232.3

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

Drometrizole trisiloxane

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe