CID 9634532

N'-(4-((4-methylbenzyl)oxy)benzylidene)-3-nitrobenzohydrazide

Structural Information

Molecular Formula
C22H19N3O4
SMILES
CC1=CC=C(C=C1)COC2=CC=C(C=C2)/C=N/NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]
InChI
InChI=1S/C22H19N3O4/c1-16-5-7-18(8-6-16)15-29-21-11-9-17(10-12-21)14-23-24-22(26)19-3-2-4-20(13-19)25(27)28/h2-14H,15H2,1H3,(H,24,26)/b23-14+
InChIKey
VFGYWFJIFQYKOD-OEAKJJBVSA-N
Compound name
N-[(E)-[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-3-nitrobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

389.13754 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.14482 192.5
[M+Na]+ 412.12676 206.9
[M+NH4]+ 407.17136 199.2
[M+K]+ 428.10070 201.0
[M-H]- 388.13026 201.0
[M+Na-2H]- 410.11221 202.7
[M]+ 389.13699 196.8
[M]- 389.13809 196.8
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.