CID 136611984

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

Structural Information

Molecular Formula
C19H21N3O5
SMILES
CCCOC1=CC=C(C=C1)C(=O)NCC(=O)N/N=C/C2=C(C=C(C=C2)O)O
InChI
InChI=1S/C19H21N3O5/c1-2-9-27-16-7-4-13(5-8-16)19(26)20-12-18(25)22-21-11-14-3-6-15(23)10-17(14)24/h3-8,10-11,23-24H,2,9,12H2,1H3,(H,20,26)(H,22,25)/b21-11+
InChIKey
CENQSDSSKWHJLR-SRZZPIQSSA-N
Compound name
N-[2-[(2E)-2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-4-propoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

371.14813 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.15541 186.0
[M+Na]+ 394.13735 189.8
[M-H]- 370.14085 191.1
[M+NH4]+ 389.18195 196.1
[M+K]+ 410.11129 186.8
[M+H-H2O]+ 354.14539 176.5
[M+HCOO]- 416.14633 209.7
[M+CH3COO]- 430.16198 221.9
[M+Na-2H]- 392.12280 188.0
[M]+ 371.14758 187.4
[M]- 371.14868 187.4
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.