CID 374920

Nsc653505

Structural Information

Molecular Formula
C24H26N4O2S2
SMILES
C1C(S1)CN2C3=CC=CC=C3N(C2=O)CCCCN4C5=CC=CC=C5N(C4=O)CC6CS6
InChI
InChI=1S/C24H26N4O2S2/c29-23-25(19-7-1-3-9-21(19)27(23)13-17-15-31-17)11-5-6-12-26-20-8-2-4-10-22(20)28(24(26)30)14-18-16-32-18/h1-4,7-10,17-18H,5-6,11-16H2
InChIKey
SCZLLUZRTMKFMB-UHFFFAOYSA-N
Compound name
1-[4-[2-oxo-3-(thiiran-2-ylmethyl)benzimidazol-1-yl]butyl]-3-(thiiran-2-ylmethyl)benzimidazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

466.14972 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 467.15700 211.6
[M+Na]+ 489.13894 223.4
[M-H]- 465.14244 219.7
[M+NH4]+ 484.18354 212.2
[M+K]+ 505.11288 214.4
[M+H-H2O]+ 449.14698 206.4
[M+HCOO]- 511.14792 221.4
[M+CH3COO]- 525.16357 217.9
[M+Na-2H]- 487.12439 206.4
[M]+ 466.14917 223.1
[M]- 466.15027 223.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.