CID 3077558

Brn 4829061

Structural Information

Molecular Formula
C24H27N5O3
SMILES
CC(NNC(=O)C1=CC(=NC2=CC=CC=C21)NC3=CC(=CC=C3)OC)(N4CCCC=C4)O
InChI
InChI=1S/C24H27N5O3/c1-24(31,29-13-6-3-7-14-29)28-27-23(30)20-16-22(26-21-12-5-4-11-19(20)21)25-17-9-8-10-18(15-17)32-2/h4-6,8-13,15-16,28,31H,3,7,14H2,1-2H3,(H,25,26)(H,27,30)
InChIKey
YYDKMIKWWJIECQ-UHFFFAOYSA-N
Compound name
N'-[1-(3,4-dihydro-2H-pyridin-1-yl)-1-hydroxyethyl]-2-(3-methoxyanilino)quinoline-4-carbohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

433.2114 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 434.21868 199.9
[M+Na]+ 456.20062 202.0
[M-H]- 432.20412 205.3
[M+NH4]+ 451.24522 205.0
[M+K]+ 472.17456 196.9
[M+H-H2O]+ 416.20866 188.2
[M+HCOO]- 478.20960 215.8
[M+CH3COO]- 492.22525 234.6
[M+Na-2H]- 454.18607 206.5
[M]+ 433.21085 196.3
[M]- 433.21195 196.3
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.