CID 9665789

N'-(3-(benzyloxy)benzylidene)-3-nitrobenzohydrazide

Structural Information

Molecular Formula
C21H17N3O4
SMILES
C1=CC=C(C=C1)COC2=CC=CC(=C2)/C=N/NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]
InChI
InChI=1S/C21H17N3O4/c25-21(18-9-5-10-19(13-18)24(26)27)23-22-14-17-8-4-11-20(12-17)28-15-16-6-2-1-3-7-16/h1-14H,15H2,(H,23,25)/b22-14+
InChIKey
SNAZMCYVVCNEMH-HYARGMPZSA-N
Compound name
3-nitro-N-[(E)-(3-phenylmethoxyphenyl)methylideneamino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

375.12192 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.12920 187.9
[M+Na]+ 398.11114 202.1
[M+NH4]+ 393.15574 194.7
[M+K]+ 414.08508 196.3
[M-H]- 374.11464 196.3
[M+Na-2H]- 396.09659 198.5
[M]+ 375.12137 192.1
[M]- 375.12247 192.1
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.