CID 6477367

Nsc650576

Structural Information

Molecular Formula
C18H13N3OS
SMILES
C1C(=O)N=C(S1)/C(=C\C2=CC=CC=C2)/C3=NC4=CC=CC=C4N3
InChI
InChI=1S/C18H13N3OS/c22-16-11-23-18(21-16)13(10-12-6-2-1-3-7-12)17-19-14-8-4-5-9-15(14)20-17/h1-10H,11H2,(H,19,20)/b13-10-
InChIKey
NNMKULLTADOZFY-RAXLEYEMSA-N
Compound name
2-[(Z)-1-(1H-benzimidazol-2-yl)-2-phenylethenyl]-1,3-thiazol-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

319.07794 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.08522 173.4
[M+Na]+ 342.06716 183.7
[M-H]- 318.07066 180.3
[M+NH4]+ 337.11176 188.2
[M+K]+ 358.04110 176.5
[M+H-H2O]+ 302.07520 165.4
[M+HCOO]- 364.07614 189.0
[M+CH3COO]- 378.09179 184.5
[M+Na-2H]- 340.05261 173.1
[M]+ 319.07739 174.5
[M]- 319.07849 174.5
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.