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]+ 241.12952 153.3
[M+Na]+ 263.11146 160.1
[M-H]- 239.11496 152.6
[M+NH4]+ 258.15606 166.8
[M+K]+ 279.08540 157.2
[M+H-H2O]+ 223.11950 145.0
[M+HCOO]- 285.12044 174.8
[M+CH3COO]- 299.13609 193.9
[M+Na-2H]- 261.09691 157.6
[M]+ 240.12169 153.1
[M]- 240.12279 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.