CID 364282

Nsc630300

Structural Information

Molecular Formula
C23H23N3O4
SMILES
CC1=C(C(=CC=C1)C)NC(=O)CCC(=O)NNC(=O)C2=CC3=CC=CC=C3C(=C2)O
InChI
InChI=1S/C23H23N3O4/c1-14-6-5-7-15(2)22(14)24-20(28)10-11-21(29)25-26-23(30)17-12-16-8-3-4-9-18(16)19(27)13-17/h3-9,12-13,27H,10-11H2,1-2H3,(H,24,28)(H,25,29)(H,26,30)
InChIKey
GKHKOKFWBBNAJQ-UHFFFAOYSA-N
Compound name
N-(2,6-dimethylphenyl)-4-[2-(4-hydroxynaphthalene-2-carbonyl)hydrazinyl]-4-oxobutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

405.16885 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.17613 196.8
[M+Na]+ 428.15807 200.8
[M-H]- 404.16157 202.8
[M+NH4]+ 423.20267 206.6
[M+K]+ 444.13201 196.9
[M+H-H2O]+ 388.16611 187.5
[M+HCOO]- 450.16705 217.5
[M+CH3COO]- 464.18270 231.1
[M+Na-2H]- 426.14352 198.2
[M]+ 405.16830 196.8
[M]- 405.16940 196.8
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.