CID 135489834

Nsc682525

Structural Information

Molecular Formula
C8H13N5O3
SMILES
C(CC(=O)NC1=C(N=C(NC1=O)N)N)CO
InChI
InChI=1S/C8H13N5O3/c9-6-5(7(16)13-8(10)12-6)11-4(15)2-1-3-14/h14H,1-3H2,(H,11,15)(H5,9,10,12,13,16)
InChIKey
WLFAMRISRNIXSA-UHFFFAOYSA-N
Compound name
N-(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)-4-hydroxybutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.10184 Da
Monoisotopic Mass

-2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.10912 148.9
[M+Na]+ 250.09106 156.2
[M-H]- 226.09456 147.1
[M+NH4]+ 245.13566 161.9
[M+K]+ 266.06500 152.7
[M+H-H2O]+ 210.09910 141.1
[M+HCOO]- 272.10004 170.0
[M+CH3COO]- 286.11569 192.0
[M+Na-2H]- 248.07651 152.3
[M]+ 227.10129 144.8
[M]- 227.10239 144.8
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.