CID 459825

1-[(2-aminopyrimidin-4-yl)amino]-3-(2-hydroxyethoxy)propan-2-ol

Structural Information

Molecular Formula
C9H16N4O3
SMILES
C1=CN=C(N=C1NCC(COCCO)O)N
InChI
InChI=1S/C9H16N4O3/c10-9-11-2-1-8(13-9)12-5-7(15)6-16-4-3-14/h1-2,7,14-15H,3-6H2,(H3,10,11,12,13)
InChIKey
MVDGVZKXNGQANP-UHFFFAOYSA-N
Compound name
1-[(2-aminopyrimidin-4-yl)amino]-3-(2-hydroxyethoxy)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

228.12224 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.12952 149.6
[M+Na]+ 251.11146 154.8
[M-H]- 227.11496 147.2
[M+NH4]+ 246.15606 162.6
[M+K]+ 267.08540 152.5
[M+H-H2O]+ 211.11950 141.4
[M+HCOO]- 273.12044 169.6
[M+CH3COO]- 287.13609 189.5
[M+Na-2H]- 249.09691 154.8
[M]+ 228.12169 148.3
[M]- 228.12279 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.