CID 217790

Brn 0451656

Structural Information

Molecular Formula
C18H17N3O4
SMILES
C1C(CN(C1=O)C2=CC=CC=C2)C(=O)NC3=CC=CC=C3C(=O)NO
InChI
InChI=1S/C18H17N3O4/c22-16-10-12(11-21(16)13-6-2-1-3-7-13)17(23)19-15-9-5-4-8-14(15)18(24)20-25/h1-9,12,25H,10-11H2,(H,19,23)(H,20,24)
InChIKey
CYJDLMURDMXSHZ-UHFFFAOYSA-N
Compound name
N-[2-(hydroxycarbamoyl)phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.12192 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.12920 176.4
[M+Na]+ 362.11114 180.6
[M-H]- 338.11464 183.6
[M+NH4]+ 357.15574 188.1
[M+K]+ 378.08508 176.8
[M+H-H2O]+ 322.11918 167.2
[M+HCOO]- 384.12012 197.3
[M+CH3COO]- 398.13577 211.1
[M+Na-2H]- 360.09659 176.8
[M]+ 339.12137 172.9
[M]- 339.12247 172.9
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.