CID 6077303

Nsc380508

Structural Information

Molecular Formula
C15H15N5O2S
SMILES
C=CCN\1C(=O)CS/C1=N\NC(=O)CC2=NC3=CC=CC=C3N2
InChI
InChI=1S/C15H15N5O2S/c1-2-7-20-14(22)9-23-15(20)19-18-13(21)8-12-16-10-5-3-4-6-11(10)17-12/h2-6H,1,7-9H2,(H,16,17)(H,18,21)/b19-15-
InChIKey
TVCNOFLGPOAUTE-CYVLTUHYSA-N
Compound name
2-(1H-benzimidazol-2-yl)-N-[(Z)-(4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene)amino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

329.09464 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.10192 175.0
[M+Na]+ 352.08386 183.7
[M-H]- 328.08736 179.8
[M+NH4]+ 347.12846 189.8
[M+K]+ 368.05780 178.0
[M+H-H2O]+ 312.09190 167.0
[M+HCOO]- 374.09284 192.5
[M+CH3COO]- 388.10849 208.8
[M+Na-2H]- 350.06931 174.9
[M]+ 329.09409 176.9
[M]- 329.09519 176.9
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.