CID 5388014

Nsc630883

Structural Information

Molecular Formula
C23H17N3O3
SMILES
C1OC2=C(O1)C=C(C=C2)/C=C(/C3=NC4=CC=CC=C4N3)\NC(=O)C5=CC=CC=C5
InChI
InChI=1S/C23H17N3O3/c27-23(16-6-2-1-3-7-16)26-19(22-24-17-8-4-5-9-18(17)25-22)12-15-10-11-20-21(13-15)29-14-28-20/h1-13H,14H2,(H,24,25)(H,26,27)/b19-12-
InChIKey
HVXKWYMQSIPYSG-UNOMPAQXSA-N
Compound name
N-[(Z)-1-(1H-benzimidazol-2-yl)-2-(1,3-benzodioxol-5-yl)ethenyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

383.12698 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.13426 187.2
[M+Na]+ 406.11620 193.9
[M-H]- 382.11970 196.6
[M+NH4]+ 401.16080 197.0
[M+K]+ 422.09014 189.5
[M+H-H2O]+ 366.12424 178.3
[M+HCOO]- 428.12518 204.7
[M+CH3COO]- 442.14083 196.8
[M+Na-2H]- 404.10165 190.0
[M]+ 383.12643 188.0
[M]- 383.12753 188.0
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.