CID 3067100

80834-73-7

Structural Information

Molecular Formula
C24H26N2O2
SMILES
CC1=CC=C(C=C1)C2=CCN(CC2)CCC(=O)C3=CC4=C(C=C3)NC(=O)CC4
InChI
InChI=1S/C24H26N2O2/c1-17-2-4-18(5-3-17)19-10-13-26(14-11-19)15-12-23(27)21-6-8-22-20(16-21)7-9-24(28)25-22/h2-6,8,10,16H,7,9,11-15H2,1H3,(H,25,28)
InChIKey
PRXOEWWQWRAAGL-UHFFFAOYSA-N
Compound name
6-[3-[4-(4-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]propanoyl]-3,4-dihydro-1H-quinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

374.19943 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.206706 193.6
[M+Na]+ 397.188648 197.4
[M-H]- 373.192154 198.4
[M+NH4]+ 392.233253 202.1
[M+K]+ 413.162588 190.0
[M+H-H2O]+ 357.196690 181.9
[M+HCOO]- 419.197631 205.0
[M+CH3COO]- 433.213281 200.4
[M+Na-2H]- 395.174096 193.2
[M]+ 374.19888142 187.6
[M]- 374.19997858 187.6
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

patents stripe