CID 5387550

Nsc624456

Structural Information

Molecular Formula
C22H16FN3O
SMILES
C1=CC=C(C=C1)C(=O)N/C(=C\C2=CC=C(C=C2)F)/C3=NC4=CC=CC=C4N3
InChI
InChI=1S/C22H16FN3O/c23-17-12-10-15(11-13-17)14-20(26-22(27)16-6-2-1-3-7-16)21-24-18-8-4-5-9-19(18)25-21/h1-14H,(H,24,25)(H,26,27)/b20-14-
InChIKey
ZGMYHLLZBIZPES-ZHZULCJRSA-N
Compound name
N-[(Z)-1-(1H-benzimidazol-2-yl)-2-(4-fluorophenyl)ethenyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

357.12775 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.13503 183.1
[M+Na]+ 380.11697 190.2
[M-H]- 356.12047 188.7
[M+NH4]+ 375.16157 194.0
[M+K]+ 396.09091 181.8
[M+H-H2O]+ 340.12501 171.9
[M+HCOO]- 402.12595 202.3
[M+CH3COO]- 416.14160 192.2
[M+Na-2H]- 378.10242 186.5
[M]+ 357.12720 180.2
[M]- 357.12830 180.2
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.