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]+ 372.155406 186.0
[M+Na]+ 394.137348 189.8
[M-H]- 370.140854 191.1
[M+NH4]+ 389.181953 196.1
[M+K]+ 410.111288 186.8
[M+H-H2O]+ 354.145390 176.5
[M+HCOO]- 416.146331 209.7
[M+CH3COO]- 430.161981 221.9
[M+Na-2H]- 392.122796 188.0
[M]+ 371.14758142 187.4
[M]- 371.14867858 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.