CID 3067106

80834-79-3

Structural Information

Molecular Formula
C23H27N3O
SMILES
C1CN(CCN1CCCCC2=CC3=C(C=C2)NC(=O)C=C3)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/h1-3,7-12,18H,4-6,13-17H2,(H,24,27)
InChIKey
ADDNRBBXLJRQFM-UHFFFAOYSA-N
Compound name
6-[4-(4-phenylpiperazin-1-yl)butyl]-1H-quinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

361.21542 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.222696 191.0
[M+Na]+ 384.204638 195.5
[M-H]- 360.208144 194.3
[M+NH4]+ 379.249243 198.6
[M+K]+ 400.178578 186.9
[M+H-H2O]+ 344.212680 178.2
[M+HCOO]- 406.213621 203.4
[M+CH3COO]- 420.229271 197.7
[M+Na-2H]- 382.190086 193.8
[M]+ 361.21487142 185.9
[M]- 361.21596858 185.9
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