CID 9570933

P-(p-methoxybenzamido)benzoic acid 2-(o-nitrobenzylidene)hydrazide

Structural Information

Molecular Formula
C22H18N4O5
SMILES
COC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)C(=O)N/N=C/C3=CC=CC=C3[N+](=O)[O-]
InChI
InChI=1S/C22H18N4O5/c1-31-19-12-8-15(9-13-19)21(27)24-18-10-6-16(7-11-18)22(28)25-23-14-17-4-2-3-5-20(17)26(29)30/h2-14H,1H3,(H,24,27)(H,25,28)/b23-14+
InChIKey
CFBYKESMMLNIDW-OEAKJJBVSA-N
Compound name
4-[(4-methoxybenzoyl)amino]-N-[(E)-(2-nitrophenyl)methylideneamino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

418.12772 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.13500 195.9
[M+Na]+ 441.11694 198.0
[M-H]- 417.12044 206.2
[M+NH4]+ 436.16154 203.4
[M+K]+ 457.09088 190.9
[M+H-H2O]+ 401.12498 188.7
[M+HCOO]- 463.12592 222.8
[M+CH3COO]- 477.14157 227.5
[M+Na-2H]- 439.10239 201.4
[M]+ 418.12717 194.9
[M]- 418.12827 194.9
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.