CID 5466767

Nsc642631

Structural Information

Molecular Formula
C23H19N3O4
SMILES
C1OC2=C(O1)C=C(C=C2)/C=C(/C(=O)NNC3=CC=CC=C3)\NC(=O)C4=CC=CC=C4
InChI
InChI=1S/C23H19N3O4/c27-22(17-7-3-1-4-8-17)24-19(23(28)26-25-18-9-5-2-6-10-18)13-16-11-12-20-21(14-16)30-15-29-20/h1-14,25H,15H2,(H,24,27)(H,26,28)/b19-13-
InChIKey
OSEPBJOMVJGXKO-UYRXBGFRSA-N
Compound name
N-[(Z)-1-(1,3-benzodioxol-5-yl)-3-oxo-3-(2-phenylhydrazinyl)prop-1-en-2-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

401.13754 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.14482 194.1
[M+Na]+ 424.12676 196.2
[M-H]- 400.13026 205.0
[M+NH4]+ 419.17136 202.5
[M+K]+ 440.10070 194.2
[M+H-H2O]+ 384.13480 184.4
[M+HCOO]- 446.13574 215.1
[M+CH3COO]- 460.15139 202.6
[M+Na-2H]- 422.11221 198.0
[M]+ 401.13699 192.8
[M]- 401.13809 192.8
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.