CID 102395

3351-67-5

Structural Information

Molecular Formula
C20H26N4O3S3
SMILES
CCNS(=O)(=O)C1=CC2=C(C=C1)N(C(=CC=C3C(=O)N(C(=S)S3)CC)N2CC)CC
InChI
InChI=1S/C20H26N4O3S3/c1-5-21-30(26,27)14-9-10-15-16(13-14)23(7-3)18(22(15)6-2)12-11-17-19(25)24(8-4)20(28)29-17/h9-13,21H,5-8H2,1-4H3
InChIKey
SKJNKTWERCCKDZ-UHFFFAOYSA-N
Compound name
N,1,3-triethyl-2-[2-(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)ethylidene]benzimidazole-5-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

466.1167 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 467.12398 211.5
[M+Na]+ 489.10592 220.5
[M-H]- 465.10942 214.2
[M+NH4]+ 484.15052 222.0
[M+K]+ 505.07986 211.2
[M+H-H2O]+ 449.11396 207.0
[M+HCOO]- 511.11490 212.6
[M+CH3COO]- 525.13055 232.2
[M+Na-2H]- 487.09137 205.6
[M]+ 466.11615 215.2
[M]- 466.11725 215.2
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.