CID 2762553

148757-94-2

Structural Information

Molecular Formula
C14H11N3O4
SMILES
C1CC(=O)N(C1=O)OC(=O)NC2=CC3=C(C=C2)N=CC=C3
InChI
InChI=1S/C14H11N3O4/c18-12-5-6-13(19)17(12)21-14(20)16-10-3-4-11-9(8-10)2-1-7-15-11/h1-4,7-8H,5-6H2,(H,16,20)
InChIKey
LINZYZMEBMKKIT-UHFFFAOYSA-N
Compound name
(2,5-dioxopyrrolidin-1-yl) N-quinolin-6-ylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

85
References

269
Patents

285.07495 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.082226 160.7
[M+Na]+ 308.064168 168.5
[M-H]- 284.067674 166.0
[M+NH4]+ 303.108773 175.8
[M+K]+ 324.038108 165.3
[M+H-H2O]+ 268.072210 152.0
[M+HCOO]- 330.073151 181.5
[M+CH3COO]- 344.088801 199.7
[M+Na-2H]- 306.049616 164.7
[M]+ 285.07440142 160.8
[M]- 285.07549858 160.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe