CID 217137

38160-12-2

Structural Information

Molecular Formula
C16H21N3O2
SMILES
CC1=CC=CC=C1N2CC(CC2=O)C(=O)N3CCNCC3
InChI
InChI=1S/C16H21N3O2/c1-12-4-2-3-5-14(12)19-11-13(10-15(19)20)16(21)18-8-6-17-7-9-18/h2-5,13,17H,6-11H2,1H3
InChIKey
SOKCQBBRQLARLN-UHFFFAOYSA-N
Compound name
1-(2-methylphenyl)-4-(piperazine-1-carbonyl)pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

287.1634 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.17068 170.2
[M+Na]+ 310.15262 174.5
[M-H]- 286.15612 173.6
[M+NH4]+ 305.19722 182.1
[M+K]+ 326.12656 169.7
[M+H-H2O]+ 270.16066 160.1
[M+HCOO]- 332.16160 183.0
[M+CH3COO]- 346.17725 178.7
[M+Na-2H]- 308.13807 167.8
[M]+ 287.16285 162.5
[M]- 287.16395 162.6
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

No patent data available for this compound.