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]+ 290.14992 166.7
[M+Na]+ 312.13186 170.0
[M-H]- 288.13536 173.2
[M+NH4]+ 307.17646 178.6
[M+K]+ 328.10580 168.0
[M+H-H2O]+ 272.13990 156.9
[M+HCOO]- 334.14084 183.1
[M+CH3COO]- 348.15649 200.2
[M+Na-2H]- 310.11731 167.5
[M]+ 289.14209 161.0
[M]- 289.14319 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.