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

6
Patents

393.24164 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.24892 201.2
[M+Na]+ 416.23086 204.2
[M-H]- 392.23436 203.3
[M+NH4]+ 411.27546 207.2
[M+K]+ 432.20480 196.6
[M+H-H2O]+ 376.23890 189.2
[M+HCOO]- 438.23984 208.1
[M+CH3COO]- 452.25549 206.3
[M+Na-2H]- 414.21631 198.7
[M]+ 393.24109 193.8
[M]- 393.24219 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