CID 135521368

Nsc650577

Structural Information

Molecular Formula
C17H13N5OS
SMILES
C1C(=O)N=C(S1)/C(=N\NC2=CC=CC=C2)/C3=NC4=CC=CC=C4N3
InChI
InChI=1S/C17H13N5OS/c23-14-10-24-17(20-14)15(22-21-11-6-2-1-3-7-11)16-18-12-8-4-5-9-13(12)19-16/h1-9,21H,10H2,(H,18,19)/b22-15-
InChIKey
WFPIZQNOOFJDCX-JCMHNJIXSA-N
Compound name
2-[(Z)-N-anilino-C-(1H-benzimidazol-2-yl)carbonimidoyl]-1,3-thiazol-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

335.08408 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.09136 172.7
[M+Na]+ 358.07330 181.9
[M-H]- 334.07680 180.9
[M+NH4]+ 353.11790 186.8
[M+K]+ 374.04724 175.5
[M+H-H2O]+ 318.08134 163.9
[M+HCOO]- 380.08228 192.1
[M+CH3COO]- 394.09793 183.8
[M+Na-2H]- 356.05875 175.6
[M]+ 335.08353 174.1
[M]- 335.08463 174.1
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.