CID 6448084

80834-57-7

Structural Information

Molecular Formula
C23H27N3O
SMILES
CC1=CC(=CC=C1)N2CCN(CC2)C/C=C/C3=CC4=C(C=C3)NC(=O)CC4
InChI
InChI=1S/C23H27N3O/c1-18-4-2-6-21(16-18)26-14-12-25(13-15-26)11-3-5-19-7-9-22-20(17-19)8-10-23(27)24-22/h2-7,9,16-17H,8,10-15H2,1H3,(H,24,27)/b5-3+
InChIKey
KZQKLDVPEILOPW-HWKANZROSA-N
Compound name
6-[(E)-3-[4-(3-methylphenyl)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

6
Patents

361.21542 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.22270 193.2
[M+Na]+ 384.20464 197.1
[M-H]- 360.20814 196.3
[M+NH4]+ 379.24924 201.0
[M+K]+ 400.17858 188.4
[M+H-H2O]+ 344.21268 180.6
[M+HCOO]- 406.21362 203.0
[M+CH3COO]- 420.22927 199.3
[M+Na-2H]- 382.19009 193.2
[M]+ 361.21487 185.0
[M]- 361.21597 185.0
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