CID 135429953

Nsc624445

Structural Information

Molecular Formula
C26H19N3O2
SMILES
C1=CC=C(C=C1)C(=O)N/C(=C\C2=C(C=CC3=CC=CC=C32)O)/C4=NC5=CC=CC=C5N4
InChI
InChI=1S/C26H19N3O2/c30-24-15-14-17-8-4-5-11-19(17)20(24)16-23(29-26(31)18-9-2-1-3-10-18)25-27-21-12-6-7-13-22(21)28-25/h1-16,30H,(H,27,28)(H,29,31)/b23-16-
InChIKey
PQEATNHQSSUURU-KQWNVCNZSA-N
Compound name
N-[(Z)-1-(1H-benzimidazol-2-yl)-2-(2-hydroxynaphthalen-1-yl)ethenyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

405.14774 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.15502 195.4
[M+Na]+ 428.13696 201.9
[M-H]- 404.14046 202.0
[M+NH4]+ 423.18156 204.5
[M+K]+ 444.11090 193.0
[M+H-H2O]+ 388.14500 184.8
[M+HCOO]- 450.14594 212.4
[M+CH3COO]- 464.16159 203.4
[M+Na-2H]- 426.12241 199.3
[M]+ 405.14719 193.5
[M]- 405.14829 193.5
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.