CID 136806698

N-(2-(2-(2,4-dihydroxybenzylidene)hydrazino)-2-oxoethyl)-4-methylbenzamide

Structural Information

Molecular Formula
C17H17N3O4
SMILES
CC1=CC=C(C=C1)C(=O)NCC(=O)NN=CC2=C(C=C(C=C2)O)O
InChI
InChI=1S/C17H17N3O4/c1-11-2-4-12(5-3-11)17(24)18-10-16(23)20-19-9-13-6-7-14(21)8-15(13)22/h2-9,21-22H,10H2,1H3,(H,18,24)(H,20,23)
InChIKey
BKEXROPEFJZEMI-UHFFFAOYSA-N
Compound name
N-[2-[2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-4-methylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

327.12192 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.12920 175.0
[M+Na]+ 350.11114 180.0
[M-H]- 326.11464 180.6
[M+NH4]+ 345.15574 187.1
[M+K]+ 366.08508 176.6
[M+H-H2O]+ 310.11918 166.2
[M+HCOO]- 372.12012 199.2
[M+CH3COO]- 386.13577 213.6
[M+Na-2H]- 348.09659 177.8
[M]+ 327.12137 174.4
[M]- 327.12247 174.4
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.