CID 3073968

Acetylkarfedon

Structural Information

Molecular Formula
C14H16N2O3
SMILES
CC(=O)NC(=O)CN1CC(CC1=O)C2=CC=CC=C2
InChI
InChI=1S/C14H16N2O3/c1-10(17)15-13(18)9-16-8-12(7-14(16)19)11-5-3-2-4-6-11/h2-6,12H,7-9H2,1H3,(H,15,17,18)
InChIKey
JPTYZEPWFADTCY-UHFFFAOYSA-N
Compound name
N-acetyl-2-(2-oxo-4-phenylpyrrolidin-1-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.1161 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.12338 159.3
[M+Na]+ 283.10532 164.9
[M-H]- 259.10882 164.5
[M+NH4]+ 278.14992 175.9
[M+K]+ 299.07926 162.4
[M+H-H2O]+ 243.11336 151.6
[M+HCOO]- 305.11430 180.6
[M+CH3COO]- 319.12995 196.5
[M+Na-2H]- 281.09077 159.7
[M]+ 260.11555 157.7
[M]- 260.11665 157.7
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.