CID 50942016

1-(3-(4-(o-tolyl)piperazin-1-yl)propyl)pyrrolidin-2-one

Structural Information

Molecular Formula
C18H27N3O
SMILES
CC1=CC=CC=C1N2CCN(CC2)CCCN3CCCC3=O
InChI
InChI=1S/C18H27N3O/c1-16-6-2-3-7-17(16)20-14-12-19(13-15-20)9-5-11-21-10-4-8-18(21)22/h2-3,6-7H,4-5,8-15H2,1H3
InChIKey
QHLRYZYKUDUZDD-UHFFFAOYSA-N
Compound name
1-[3-[4-(2-methylphenyl)piperazin-1-yl]propyl]pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

301.21542 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.222696 176.4
[M+Na]+ 324.204638 180.2
[M-H]- 300.208144 180.5
[M+NH4]+ 319.249243 188.5
[M+K]+ 340.178578 175.3
[M+H-H2O]+ 284.212680 165.3
[M+HCOO]- 346.213621 190.6
[M+CH3COO]- 360.229271 204.2
[M+Na-2H]- 322.190086 174.3
[M]+ 301.21487142 171.1
[M]- 301.21596858 171.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.