CID 135429952

Nsc624444

Structural Information

Molecular Formula
C22H17N3O2
SMILES
C1=CC=C(C=C1)C(=O)N/C(=C\C2=CC=CC=C2O)/C3=NC4=CC=CC=C4N3
InChI
InChI=1S/C22H17N3O2/c26-20-13-7-4-10-16(20)14-19(25-22(27)15-8-2-1-3-9-15)21-23-17-11-5-6-12-18(17)24-21/h1-14,26H,(H,23,24)(H,25,27)/b19-14-
InChIKey
YWGFYARYDDAFHD-RGEXLXHISA-N
Compound name
N-[(Z)-1-(1H-benzimidazol-2-yl)-2-(2-hydroxyphenyl)ethenyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

355.13208 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.13936 182.7
[M+Na]+ 378.12130 189.1
[M-H]- 354.12480 188.5
[M+NH4]+ 373.16590 193.0
[M+K]+ 394.09524 181.3
[M+H-H2O]+ 338.12934 172.8
[M+HCOO]- 400.13028 201.7
[M+CH3COO]- 414.14593 191.7
[M+Na-2H]- 376.10675 186.5
[M]+ 355.13153 180.4
[M]- 355.13263 180.4
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.