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]+ 302.22270 176.4
[M+Na]+ 324.20464 180.2
[M-H]- 300.20814 180.5
[M+NH4]+ 319.24924 188.5
[M+K]+ 340.17858 175.3
[M+H-H2O]+ 284.21268 165.3
[M+HCOO]- 346.21362 190.6
[M+CH3COO]- 360.22927 204.2
[M+Na-2H]- 322.19009 174.3
[M]+ 301.21487 171.1
[M]- 301.21597 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.