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

6
Patents

361.21542 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.22270 191.0
[M+Na]+ 384.20464 195.5
[M-H]- 360.20814 194.3
[M+NH4]+ 379.24924 198.6
[M+K]+ 400.17858 186.9
[M+H-H2O]+ 344.21268 178.2
[M+HCOO]- 406.21362 203.4
[M+CH3COO]- 420.22927 197.7
[M+Na-2H]- 382.19009 193.8
[M]+ 361.21487 185.9
[M]- 361.21597 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