CID 167738641

2919947-08-1

Structural Information

Molecular Formula
C12H13N3O4
SMILES
C1CC(=O)N(C1=O)OC(=O)NCCC2=CC=NC=C2
InChI
InChI=1S/C12H13N3O4/c16-10-1-2-11(17)15(10)19-12(18)14-8-5-9-3-6-13-7-4-9/h3-4,6-7H,1-2,5,8H2,(H,14,18)
InChIKey
BNUUORAYHPHSME-UHFFFAOYSA-N
Compound name
(2,5-dioxopyrrolidin-1-yl) N-(2-pyridin-4-ylethyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.0906 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.097876 156.5
[M+Na]+ 286.079818 163.0
[M-H]- 262.083324 160.5
[M+NH4]+ 281.124423 171.5
[M+K]+ 302.053758 160.9
[M+H-H2O]+ 246.087860 147.7
[M+HCOO]- 308.088801 178.3
[M+CH3COO]- 322.104451 194.6
[M+Na-2H]- 284.065266 159.2
[M]+ 263.09005142 156.7
[M]- 263.09114858 156.7
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.