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 192.2
[M+Na]+ 384.20464 195.0
[M-H]- 360.20814 194.8
[M+NH4]+ 379.24924 199.6
[M+K]+ 400.17858 186.4
[M+H-H2O]+ 344.21268 179.3
[M+HCOO]- 406.21362 202.0
[M+CH3COO]- 420.22927 197.9
[M+Na-2H]- 382.19009 192.9
[M]+ 361.21487 183.5
[M]- 361.21597 183.5
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