CID 500508

Chembl5002736

Structural Information

Molecular Formula
C11H18N4O2
SMILES
COC1=NC(=NC(=C1)NCC2(CCC2)CO)N
InChI
InChI=1S/C11H18N4O2/c1-17-9-5-8(14-10(12)15-9)13-6-11(7-16)3-2-4-11/h5,16H,2-4,6-7H2,1H3,(H3,12,13,14,15)
InChIKey
NZSJLMFNOYRPSO-UHFFFAOYSA-N
Compound name
[1-[[(2-amino-6-methoxypyrimidin-4-yl)amino]methyl]cyclobutyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

238.14297 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.15025 156.7
[M+Na]+ 261.13219 161.5
[M-H]- 237.13569 158.7
[M+NH4]+ 256.17679 165.6
[M+K]+ 277.10613 162.2
[M+H-H2O]+ 221.14023 143.0
[M+HCOO]- 283.14117 176.2
[M+CH3COO]- 297.15682 196.7
[M+Na-2H]- 259.11764 161.9
[M]+ 238.14242 163.5
[M]- 238.14352 163.5
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

No patent data available for this compound.