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

9
Patents

361.21542 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.222696 193.2
[M+Na]+ 384.204638 197.1
[M-H]- 360.208144 196.3
[M+NH4]+ 379.249243 201.0
[M+K]+ 400.178578 188.4
[M+H-H2O]+ 344.212680 180.6
[M+HCOO]- 406.213621 203.0
[M+CH3COO]- 420.229271 199.3
[M+Na-2H]- 382.190086 193.2
[M]+ 361.21487142 185.0
[M]- 361.21596858 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