CID 135607178

N-(2-(2-(5-bromo-2-hydroxybenzylidene)hydrazino)-2-oxoethyl)-2-methylbenzamide

Structural Information

Molecular Formula
C17H16BrN3O3
SMILES
CC1=CC=CC=C1C(=O)NCC(=O)N/N=C/C2=C(C=CC(=C2)Br)O
InChI
InChI=1S/C17H16BrN3O3/c1-11-4-2-3-5-14(11)17(24)19-10-16(23)21-20-9-12-8-13(18)6-7-15(12)22/h2-9,22H,10H2,1H3,(H,19,24)(H,21,23)/b20-9+
InChIKey
DIDJNBUCLZXRLG-AWQFTUOYSA-N
Compound name
N-[2-[(2E)-2-[(5-bromo-2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-2-methylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

389.0375 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.04478 180.3
[M+Na]+ 412.02672 187.9
[M-H]- 388.03022 188.8
[M+NH4]+ 407.07132 194.2
[M+K]+ 428.00066 175.6
[M+H-H2O]+ 372.03476 176.2
[M+HCOO]- 434.03570 202.7
[M+CH3COO]- 448.05135 221.2
[M+Na-2H]- 410.01217 184.0
[M]+ 389.03695 198.1
[M]- 389.03805 198.1
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.