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

11
Patents

361.21542 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.222696 192.2
[M+Na]+ 384.204638 195.0
[M-H]- 360.208144 194.8
[M+NH4]+ 379.249243 199.6
[M+K]+ 400.178578 186.4
[M+H-H2O]+ 344.212680 179.3
[M+HCOO]- 406.213621 202.0
[M+CH3COO]- 420.229271 197.9
[M+Na-2H]- 382.190086 192.9
[M]+ 361.21487142 183.5
[M]- 361.21596858 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