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]+ 264.09788 156.5
[M+Na]+ 286.07982 163.0
[M-H]- 262.08332 160.5
[M+NH4]+ 281.12442 171.5
[M+K]+ 302.05376 160.9
[M+H-H2O]+ 246.08786 147.7
[M+HCOO]- 308.08880 178.3
[M+CH3COO]- 322.10445 194.6
[M+Na-2H]- 284.06527 159.2
[M]+ 263.09005 156.7
[M]- 263.09115 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.