CID 3069732

3-pyridinecarboxylic acid, 2-((2-(benzoylamino)phenyl)oxoacetyl)hydrazide

Structural Information

Molecular Formula
C21H16N4O4
SMILES
C1=CC=C(C=C1)C(=O)NC2=CC=CC=C2C(=O)C(=O)NNC(=O)C3=CN=CC=C3
InChI
InChI=1S/C21H16N4O4/c26-18(21(29)25-24-20(28)15-9-6-12-22-13-15)16-10-4-5-11-17(16)23-19(27)14-7-2-1-3-8-14/h1-13H,(H,23,27)(H,24,28)(H,25,29)
InChIKey
OWVUPOQZSGGYIE-UHFFFAOYSA-N
Compound name
N-[2-[2-oxo-2-[2-(pyridine-3-carbonyl)hydrazinyl]acetyl]phenyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

388.11716 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.12444 188.9
[M+Na]+ 411.10638 191.4
[M-H]- 387.10988 196.7
[M+NH4]+ 406.15098 196.2
[M+K]+ 427.08032 187.9
[M+H-H2O]+ 371.11442 177.6
[M+HCOO]- 433.11536 211.4
[M+CH3COO]- 447.13101 224.5
[M+Na-2H]- 409.09183 192.5
[M]+ 388.11661 186.5
[M]- 388.11771 186.5
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.