CID 135822232

N-(2-(2-(5-bromo-2-hydroxybenzylidene)hydrazino)-2-oxoethyl)-4-propoxybenzamide

Structural Information

Molecular Formula
C19H20BrN3O4
SMILES
CCCOC1=CC=C(C=C1)C(=O)NCC(=O)N/N=C/C2=C(C=CC(=C2)Br)O
InChI
InChI=1S/C19H20BrN3O4/c1-2-9-27-16-6-3-13(4-7-16)19(26)21-12-18(25)23-22-11-14-10-15(20)5-8-17(14)24/h3-8,10-11,24H,2,9,12H2,1H3,(H,21,26)(H,23,25)/b22-11+
InChIKey
IPWXLJQBYOCTMN-SSDVNMTOSA-N
Compound name
N-[2-[(2E)-2-[(5-bromo-2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-4-propoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

433.06372 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 434.07100 191.0
[M+Na]+ 456.05294 197.4
[M-H]- 432.05644 199.0
[M+NH4]+ 451.09754 202.9
[M+K]+ 472.02688 185.3
[M+H-H2O]+ 416.06098 186.1
[M+HCOO]- 478.06192 212.8
[M+CH3COO]- 492.07757 228.8
[M+Na-2H]- 454.03839 193.8
[M]+ 433.06317 210.6
[M]- 433.06427 210.6
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.