CID 217799

39630-12-1

Structural Information

Molecular Formula
C16H21N3O2
SMILES
C1CCN(CC1)C(=O)C2CC(=O)N(C2)NC3=CC=CC=C3
InChI
InChI=1S/C16H21N3O2/c20-15-11-13(16(21)18-9-5-2-6-10-18)12-19(15)17-14-7-3-1-4-8-14/h1,3-4,7-8,13,17H,2,5-6,9-12H2
InChIKey
JFZUQYGYJQWVDK-UHFFFAOYSA-N
Compound name
1-anilino-4-(piperidine-1-carbonyl)pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

287.1634 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.17068 167.8
[M+Na]+ 310.15262 170.7
[M-H]- 286.15612 173.5
[M+NH4]+ 305.19722 181.1
[M+K]+ 326.12656 166.9
[M+H-H2O]+ 270.16066 157.8
[M+HCOO]- 332.16160 184.6
[M+CH3COO]- 346.17725 200.8
[M+Na-2H]- 308.13807 167.5
[M]+ 287.16285 160.4
[M]- 287.16395 160.4
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.