CID 6448088

80834-66-8

Structural Information

Molecular Formula
C23H27N3O2
SMILES
COC1=CC=CC=C1N2CCN(CC2)C/C=C/C3=CC4=C(C=C3)NC(=O)CC4
InChI
InChI=1S/C23H27N3O2/c1-28-22-7-3-2-6-21(22)26-15-13-25(14-16-26)12-4-5-18-8-10-20-19(17-18)9-11-23(27)24-20/h2-8,10,17H,9,11-16H2,1H3,(H,24,27)/b5-4+
InChIKey
RBHHPHLJNBJZIH-SNAWJCMRSA-N
Compound name
6-[(E)-3-[4-(2-methoxyphenyl)piperazin-1-yl]prop-1-enyl]-3,4-dihydro-1H-quinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

377.21033 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.21761 196.3
[M+Na]+ 400.19955 210.1
[M+NH4]+ 395.24415 203.0
[M+K]+ 416.17349 200.9
[M-H]- 376.20305 200.9
[M+Na-2H]- 398.18500 202.5
[M]+ 377.20978 199.4
[M]- 377.21088 199.4
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

patents stripe