CID 379359

Nsc663905

Structural Information

Molecular Formula
C11H17N3O4
SMILES
CC1=CN(C(=O)NC1=O)CC(=O)NCCCCO
InChI
InChI=1S/C11H17N3O4/c1-8-6-14(11(18)13-10(8)17)7-9(16)12-4-2-3-5-15/h6,15H,2-5,7H2,1H3,(H,12,16)(H,13,17,18)
InChIKey
DNJFSDATDPNRLF-UHFFFAOYSA-N
Compound name
N-(4-hydroxybutyl)-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.1219 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.129176 156.1
[M+Na]+ 278.111118 164.0
[M-H]- 254.114624 154.8
[M+NH4]+ 273.155723 169.1
[M+K]+ 294.085058 160.4
[M+H-H2O]+ 238.119160 148.5
[M+HCOO]- 300.120101 175.8
[M+CH3COO]- 314.135751 192.6
[M+Na-2H]- 276.096566 159.3
[M]+ 255.12135142 157.3
[M]- 255.12244858 157.3
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.