CID 9555639

Nsc380509

Structural Information

Molecular Formula
C18H14ClN5O2S
SMILES
C1C(=O)N(/C(=N/NC(=O)CC2=NC3=CC=CC=C3N2)/S1)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C18H14ClN5O2S/c19-11-5-7-12(8-6-11)24-17(26)10-27-18(24)23-22-16(25)9-15-20-13-3-1-2-4-14(13)21-15/h1-8H,9-10H2,(H,20,21)(H,22,25)/b23-18-
InChIKey
BYWMDNDJLIURHI-NKFKGCMQSA-N
Compound name
2-(1H-benzimidazol-2-yl)-N-[(Z)-[3-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-2-ylidene]amino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

399.05566 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.06294 190.8
[M+Na]+ 422.04488 200.7
[M-H]- 398.04838 199.0
[M+NH4]+ 417.08948 203.4
[M+K]+ 438.01882 193.3
[M+H-H2O]+ 382.05292 182.5
[M+HCOO]- 444.05386 203.9
[M+CH3COO]- 458.06951 200.7
[M+Na-2H]- 420.03033 190.4
[M]+ 399.05511 194.5
[M]- 399.05621 194.5
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.