CID 9555816

Nsc633190

Structural Information

Molecular Formula
C23H16N4OS
SMILES
C1=CC=C(C=C1)/C=N/C2=C(SC(=O)N2C3=CC=CC=C3)C4=NC5=CC=CC=C5N4
InChI
InChI=1S/C23H16N4OS/c28-23-27(17-11-5-2-6-12-17)22(24-15-16-9-3-1-4-10-16)20(29-23)21-25-18-13-7-8-14-19(18)26-21/h1-15H,(H,25,26)/b24-15+
InChIKey
BEMABGSRTGXYOF-BUVRLJJBSA-N
Compound name
5-(1H-benzimidazol-2-yl)-4-[(E)-benzylideneamino]-3-phenyl-1,3-thiazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

396.1045 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.11178 192.9
[M+Na]+ 419.09372 204.8
[M-H]- 395.09722 204.8
[M+NH4]+ 414.13832 205.0
[M+K]+ 435.06766 195.9
[M+H-H2O]+ 379.10176 183.4
[M+HCOO]- 441.10270 212.8
[M+CH3COO]- 455.11835 204.0
[M+Na-2H]- 417.07917 194.1
[M]+ 396.10395 196.9
[M]- 396.10505 196.9
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.