CID 217798

39630-11-0

Structural Information

Molecular Formula
C15H19N3O3
SMILES
C1COCCN1C(=O)C2CC(=O)N(C2)NC3=CC=CC=C3
InChI
InChI=1S/C15H19N3O3/c19-14-10-12(15(20)17-6-8-21-9-7-17)11-18(14)16-13-4-2-1-3-5-13/h1-5,12,16H,6-11H2
InChIKey
AEBNBNZUBZCGHO-UHFFFAOYSA-N
Compound name
1-anilino-4-(morpholine-4-carbonyl)pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.14264 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.149916 166.7
[M+Na]+ 312.131858 170.0
[M-H]- 288.135364 173.2
[M+NH4]+ 307.176463 178.6
[M+K]+ 328.105798 168.0
[M+H-H2O]+ 272.139900 156.9
[M+HCOO]- 334.140841 183.1
[M+CH3COO]- 348.156491 200.2
[M+Na-2H]- 310.117306 167.5
[M]+ 289.14209142 161.0
[M]- 289.14318858 161.0
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.