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]+ 288.170676 167.8
[M+Na]+ 310.152618 170.7
[M-H]- 286.156124 173.5
[M+NH4]+ 305.197223 181.1
[M+K]+ 326.126558 166.9
[M+H-H2O]+ 270.160660 157.8
[M+HCOO]- 332.161601 184.6
[M+CH3COO]- 346.177251 200.8
[M+Na-2H]- 308.138066 167.5
[M]+ 287.16285142 160.4
[M]- 287.16394858 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.