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]+ 467.123976 211.5
[M+Na]+ 489.105918 220.5
[M-H]- 465.109424 214.2
[M+NH4]+ 484.150523 222.0
[M+K]+ 505.079858 211.2
[M+H-H2O]+ 449.113960 207.0
[M+HCOO]- 511.114901 212.6
[M+CH3COO]- 525.130551 232.2
[M+Na-2H]- 487.091366 205.6
[M]+ 466.11615142 215.2
[M]- 466.11724858 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.