CID 6448085

80834-58-8

Structural Information

Molecular Formula
C23H27N3O
SMILES
C1CC(=O)NC2=C1C=C(C=C2)/C=C/CCN3CCN(CC3)C4=CC=CC=C4
InChI
InChI=1S/C23H27N3O/c27-23-12-10-20-18-19(9-11-22(20)24-23)6-4-5-13-25-14-16-26(17-15-25)21-7-2-1-3-8-21/h1-4,6-9,11,18H,5,10,12-17H2,(H,24,27)/b6-4+
InChIKey
LMCXNHCNKDRPES-GQCTYLIASA-N
Compound name
6-[(E)-4-(4-phenylpiperazin-1-yl)but-1-enyl]-3,4-dihydro-1H-quinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

361.21542 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.22270 193.2
[M+Na]+ 384.20464 207.2
[M+NH4]+ 379.24924 200.5
[M+K]+ 400.17858 197.2
[M-H]- 360.20814 198.2
[M+Na-2H]- 382.19009 200.1
[M]+ 361.21487 196.5
[M]- 361.21597 196.5
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