CID 389312

Nsc685190

Structural Information

Molecular Formula
C16H19N3O6
SMILES
CC1=CN(C(=O)NC1=O)C(C)OCCN(C(=O)OC2=CC=CC=C2)O
InChI
InChI=1S/C16H19N3O6/c1-11-10-18(15(21)17-14(11)20)12(2)24-9-8-19(23)16(22)25-13-6-4-3-5-7-13/h3-7,10,12,23H,8-9H2,1-2H3,(H,17,20,21)
InChIKey
RGFAZHMXNSQHFP-UHFFFAOYSA-N
Compound name
phenyl N-hydroxy-N-[2-[1-(5-methyl-2,4-dioxopyrimidin-1-yl)ethoxy]ethyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

349.12738 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.13466 176.8
[M+Na]+ 372.11660 183.1
[M-H]- 348.12010 179.9
[M+NH4]+ 367.16120 185.7
[M+K]+ 388.09054 181.2
[M+H-H2O]+ 332.12464 167.0
[M+HCOO]- 394.12558 196.0
[M+CH3COO]- 408.14123 211.6
[M+Na-2H]- 370.10205 178.7
[M]+ 349.12683 180.5
[M]- 349.12793 180.5
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.