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

6
Patents

374.19943 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.20671 193.6
[M+Na]+ 397.18865 197.4
[M-H]- 373.19215 198.4
[M+NH4]+ 392.23325 202.1
[M+K]+ 413.16259 190.0
[M+H-H2O]+ 357.19669 181.9
[M+HCOO]- 419.19763 205.0
[M+CH3COO]- 433.21328 200.4
[M+Na-2H]- 395.17410 193.2
[M]+ 374.19888 187.6
[M]- 374.19998 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