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]+ 328.129196 175.0
[M+Na]+ 350.111138 180.0
[M-H]- 326.114644 180.6
[M+NH4]+ 345.155743 187.1
[M+K]+ 366.085078 176.6
[M+H-H2O]+ 310.119180 166.2
[M+HCOO]- 372.120121 199.2
[M+CH3COO]- 386.135771 213.6
[M+Na-2H]- 348.096586 177.8
[M]+ 327.12137142 174.4
[M]- 327.12246858 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.