CID 3004446

Nsc655397

Structural Information

Molecular Formula
C19H14N4OS
SMILES
CC1=CC=C(C=C1)N\2C(=O)CS/C2=C(/C#N)\C3=NC4=CC=CC=C4N3
InChI
InChI=1S/C19H14N4OS/c1-12-6-8-13(9-7-12)23-17(24)11-25-19(23)14(10-20)18-21-15-4-2-3-5-16(15)22-18/h2-9H,11H2,1H3,(H,21,22)/b19-14-
InChIKey
WVCBLKSMRVLLPZ-RGEXLXHISA-N
Compound name
(2Z)-2-(1H-benzimidazol-2-yl)-2-[3-(4-methylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

346.08884 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.09612 189.2
[M+Na]+ 369.07806 201.6
[M-H]- 345.08156 193.7
[M+NH4]+ 364.12266 201.3
[M+K]+ 385.05200 191.9
[M+H-H2O]+ 329.08610 174.1
[M+HCOO]- 391.08704 199.2
[M+CH3COO]- 405.10269 197.4
[M+Na-2H]- 367.06351 185.5
[M]+ 346.08829 184.3
[M]- 346.08939 184.3
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.