CID 135648354

N'-(2-hydroxy-3-methoxybenzylidene)-4-nitrobenzohydrazide

Structural Information

Molecular Formula
C15H13N3O5
SMILES
COC1=CC=CC(=C1O)/C=N/NC(=O)C2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C15H13N3O5/c1-23-13-4-2-3-11(14(13)19)9-16-17-15(20)10-5-7-12(8-6-10)18(21)22/h2-9,19H,1H3,(H,17,20)/b16-9+
InChIKey
GYEKQISZSMHVDR-CXUHLZMHSA-N
Compound name
N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-4-nitrobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

20
Patents

315.0855 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.09278 167.7
[M+Na]+ 338.07472 172.9
[M-H]- 314.07822 174.6
[M+NH4]+ 333.11932 180.2
[M+K]+ 354.04866 166.3
[M+H-H2O]+ 298.08276 163.3
[M+HCOO]- 360.08370 194.5
[M+CH3COO]- 374.09935 203.6
[M+Na-2H]- 336.06017 174.2
[M]+ 315.08495 167.4
[M]- 315.08605 167.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe