CID 217795

39630-08-5

Structural Information

Molecular Formula
C15H21N3O2
SMILES
CC(C)(C)NC(=O)C1CC(=O)N(C1)NC2=CC=CC=C2
InChI
InChI=1S/C15H21N3O2/c1-15(2,3)16-14(20)11-9-13(19)18(10-11)17-12-7-5-4-6-8-12/h4-8,11,17H,9-10H2,1-3H3,(H,16,20)
InChIKey
NCJGRVWNQKBUGW-UHFFFAOYSA-N
Compound name
1-anilino-N-tert-butyl-5-oxopyrrolidine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.1634 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.170676 165.2
[M+Na]+ 298.152618 169.9
[M-H]- 274.156124 170.3
[M+NH4]+ 293.197223 181.1
[M+K]+ 314.126558 167.2
[M+H-H2O]+ 258.160660 157.5
[M+HCOO]- 320.161601 186.1
[M+CH3COO]- 334.177251 202.8
[M+Na-2H]- 296.138066 167.6
[M]+ 275.16285142 162.6
[M]- 275.16394858 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.