CID 379362

Nsc663908

Structural Information

Molecular Formula
C10H16N4O3
SMILES
C1=CN(C(=O)N=C1N)CC(=O)NCCCCO
InChI
InChI=1S/C10H16N4O3/c11-8-3-5-14(10(17)13-8)7-9(16)12-4-1-2-6-15/h3,5,15H,1-2,4,6-7H2,(H,12,16)(H2,11,13,17)
InChIKey
ORVPFQCLDDHQEP-UHFFFAOYSA-N
Compound name
2-(4-amino-2-oxopyrimidin-1-yl)-N-(4-hydroxybutyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.12224 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.129516 153.3
[M+Na]+ 263.111458 160.1
[M-H]- 239.114964 152.6
[M+NH4]+ 258.156063 166.8
[M+K]+ 279.085398 157.2
[M+H-H2O]+ 223.119500 145.0
[M+HCOO]- 285.120441 174.8
[M+CH3COO]- 299.136091 193.9
[M+Na-2H]- 261.096906 157.6
[M]+ 240.12169142 153.1
[M]- 240.12278858 153.1
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.