Schembl14347690 (C41H56N4)

Structural Information

Molecular Formula

SMILES

CC(C)C1=C(C(=CC=C1)C(C)C)N=C=NC2=C(C(=C(C=C2C(C)C)C(C)C)N=C=NC3=C(C=CC=C3C(C)C)C(C)C)C(C)C

InChI

InChI=1S/C41H56N4/c1-24(2)31-17-15-18-32(25(3)4)38(31)42-22-44-40-35(28(9)10)21-36(29(11)12)41(37(40)30(13)14)45-23-43-39-33(26(5)6)19-16-20-34(39)27(7)8/h15-21,24-30H,1-14H3

InChIKey

ODUFBNFGQDFVCD-UHFFFAOYSA-N

Compound name

N-[2,6-di(propan-2-yl)phenyl]-N'-[3-[[2,6-di(propan-2-yl)phenyl]iminomethylideneamino]-2,4,6-tri(propan-2-yl)phenyl]methanediimine

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]+	605.457776	263.6
[M+Na]+	627.439718	264.4
[M-H]-	603.443224	276.6
[M+NH4]+	622.484323	268.0
[M+K]+	643.413658	260.3
[M+H-H2O]+	587.447760	251.1
[M+HCOO]-	649.448701	283.2
[M+CH3COO]-	663.464351	295.6
[M+Na-2H]-	625.425166	250.1
[M]+	604.44995142	269.7
[M]-	604.45104858	269.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

605.457776

263.6

[M+Na]+

627.439718

264.4

[M-H]-

603.443224

276.6

[M+NH4]+

622.484323

268.0

[M+K]+

643.413658

260.3

[M+H-H2O]+

587.447760

251.1

[M+HCOO]-

649.448701

283.2

[M+CH3COO]-

663.464351

295.6

[M+Na-2H]-

625.425166

250.1

[M]+

604.44995142

269.7

[M]-

604.45104858

269.7

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

Schembl14347690

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe