CID 135615579

N'-(3-bromo-4-hydroxy-5-methoxybenzylidene)-3-nitrobenzohydrazide

Structural Information

Molecular Formula
C15H12BrN3O5
SMILES
COC1=C(C(=CC(=C1)/C=N/NC(=O)C2=CC(=CC=C2)[N+](=O)[O-])Br)O
InChI
InChI=1S/C15H12BrN3O5/c1-24-13-6-9(5-12(16)14(13)20)8-17-18-15(21)10-3-2-4-11(7-10)19(22)23/h2-8,20H,1H3,(H,18,21)/b17-8+
InChIKey
NOHKXFJEFFXJRB-CAOOACKPSA-N
Compound name
N-[(E)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-3-nitrobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

392.99603 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.00331 177.7
[M+Na]+ 415.98525 185.7
[M-H]- 391.98875 186.6
[M+NH4]+ 411.02985 190.9
[M+K]+ 431.95919 170.5
[M+H-H2O]+ 375.99329 177.8
[M+HCOO]- 437.99423 201.2
[M+CH3COO]- 452.00988 213.2
[M+Na-2H]- 413.97070 183.9
[M]+ 392.99548 196.4
[M]- 392.99658 196.4
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.