CID 51060757

N'-(2-(benzyloxy)-5-bromobenzylidene)-2,4-dihydroxybenzohydrazide

Structural Information

Molecular Formula
C21H17BrN2O4
SMILES
C1=CC=C(C=C1)COC2=C(C=C(C=C2)Br)/C=N/NC(=O)C3=C(C=C(C=C3)O)O
InChI
InChI=1S/C21H17BrN2O4/c22-16-6-9-20(28-13-14-4-2-1-3-5-14)15(10-16)12-23-24-21(27)18-8-7-17(25)11-19(18)26/h1-12,25-26H,13H2,(H,24,27)/b23-12+
InChIKey
YIUVXHLYMOMSAN-FSJBWODESA-N
Compound name
N-[(E)-(5-bromo-2-phenylmethoxyphenyl)methylideneamino]-2,4-dihydroxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

440.03717 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 441.04445 193.6
[M+Na]+ 463.02639 201.3
[M-H]- 439.02989 203.8
[M+NH4]+ 458.07099 204.8
[M+K]+ 479.00033 188.7
[M+H-H2O]+ 423.03443 189.2
[M+HCOO]- 485.03537 214.3
[M+CH3COO]- 499.05102 225.3
[M+Na-2H]- 461.01184 197.3
[M]+ 440.03662 212.2
[M]- 440.03772 212.2
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.