CID 379361

Nsc663907

Structural Information

Molecular Formula
C9H14N4O3
SMILES
C1=CN(C(=O)N=C1N)CC(=O)NCCCO
InChI
InChI=1S/C9H14N4O3/c10-7-2-4-13(9(16)12-7)6-8(15)11-3-1-5-14/h2,4,14H,1,3,5-6H2,(H,11,15)(H2,10,12,16)
InChIKey
BIYOMCMNQSGOBZ-UHFFFAOYSA-N
Compound name
2-(4-amino-2-oxopyrimidin-1-yl)-N-(3-hydroxypropyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.1066 Da
Monoisotopic Mass

-2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.11388 148.9
[M+Na]+ 249.09582 156.1
[M-H]- 225.09932 148.3
[M+NH4]+ 244.14042 162.9
[M+K]+ 265.06976 153.4
[M+H-H2O]+ 209.10386 140.8
[M+HCOO]- 271.10480 170.8
[M+CH3COO]- 285.12045 190.8
[M+Na-2H]- 247.08127 153.7
[M]+ 226.10605 148.3
[M]- 226.10715 148.3
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.