CID 3004159

Nsc633192

Structural Information

Molecular Formula
C17H13N5S3
SMILES
C1=CC=C(C=C1)NC(=S)NC2=C(SC(=S)N2)C3=NC4=CC=CC=C4N3
InChI
InChI=1S/C17H13N5S3/c23-16(18-10-6-2-1-3-7-10)21-15-13(25-17(24)22-15)14-19-11-8-4-5-9-12(11)20-14/h1-9H,(H,19,20)(H,22,24)(H2,18,21,23)
InChIKey
SYIWRKUOOLOQHK-UHFFFAOYSA-N
Compound name
1-[5-(1H-benzimidazol-2-yl)-2-sulfanylidene-3H-1,3-thiazol-4-yl]-3-phenylthiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

383.0333 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.04058 177.4
[M+Na]+ 406.02252 189.6
[M-H]- 382.02602 182.7
[M+NH4]+ 401.06712 189.9
[M+K]+ 421.99646 178.4
[M+H-H2O]+ 366.03056 172.8
[M+HCOO]- 428.03150 184.8
[M+CH3COO]- 442.04715 186.9
[M+Na-2H]- 404.00797 179.0
[M]+ 383.03275 177.3
[M]- 383.03385 177.3
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.