CID 3067080

6-(1-hydroxy-3-(4-(2,3-dimethylphenyl)-1-piperazinyl)propyl)-3,4-dihydrocarbostyril

Structural Information

Molecular Formula
C24H31N3O2
SMILES
CC1=C(C(=CC=C1)N2CCN(CC2)CCC(C3=CC4=C(C=C3)NC(=O)CC4)O)C
InChI
InChI=1S/C24H31N3O2/c1-17-4-3-5-22(18(17)2)27-14-12-26(13-15-27)11-10-23(28)20-6-8-21-19(16-20)7-9-24(29)25-21/h3-6,8,16,23,28H,7,9-15H2,1-2H3,(H,25,29)
InChIKey
XMZRQLSZNWAJLW-UHFFFAOYSA-N
Compound name
6-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-1-hydroxypropyl]-3,4-dihydro-1H-quinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

393.24164 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.248916 201.2
[M+Na]+ 416.230858 204.2
[M-H]- 392.234364 203.3
[M+NH4]+ 411.275463 207.2
[M+K]+ 432.204798 196.6
[M+H-H2O]+ 376.238900 189.2
[M+HCOO]- 438.239841 208.1
[M+CH3COO]- 452.255491 206.3
[M+Na-2H]- 414.216306 198.7
[M]+ 393.24109142 193.8
[M]- 393.24218858 193.8
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