CID 385209

Nsc676322

Structural Information

Molecular Formula
C9H15ClN4O
SMILES
CC(C)(CNC1=CC(=NC(=N1)N)Cl)CO
InChI
InChI=1S/C9H15ClN4O/c1-9(2,5-15)4-12-7-3-6(10)13-8(11)14-7/h3,15H,4-5H2,1-2H3,(H3,11,12,13,14)
InChIKey
HBVZZAQGRMBILZ-UHFFFAOYSA-N
Compound name
3-[(2-amino-6-chloropyrimidin-4-yl)amino]-2,2-dimethylpropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

230.09344 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.10072 152.1
[M+Na]+ 253.08266 160.3
[M-H]- 229.08616 151.5
[M+NH4]+ 248.12726 167.2
[M+K]+ 269.05660 155.8
[M+H-H2O]+ 213.09070 145.6
[M+HCOO]- 275.09164 167.9
[M+CH3COO]- 289.10729 191.9
[M+Na-2H]- 251.06811 158.2
[M]+ 230.09289 152.1
[M]- 230.09399 152.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe