CID 41526

55687-91-7

Structural Information

Molecular Formula
C16H22N4O3
SMILES
CC(C)(C1=C(C=C(C=C1OC)CC2=CN=C(N=C2N)N)OC)O
InChI
InChI=1S/C16H22N4O3/c1-16(2,21)13-11(22-3)6-9(7-12(13)23-4)5-10-8-19-15(18)20-14(10)17/h6-8,21H,5H2,1-4H3,(H4,17,18,19,20)
InChIKey
ZEHBWBDRLQCJBQ-UHFFFAOYSA-N
Compound name
2-[4-[(2,4-diaminopyrimidin-5-yl)methyl]-2,6-dimethoxyphenyl]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

318.1692 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.176476 178.5
[M+Na]+ 341.158418 186.6
[M-H]- 317.161924 181.4
[M+NH4]+ 336.203023 189.1
[M+K]+ 357.132358 182.8
[M+H-H2O]+ 301.166460 169.6
[M+HCOO]- 363.167401 197.6
[M+CH3COO]- 377.183051 212.9
[M+Na-2H]- 339.143866 181.1
[M]+ 318.16865142 179.7
[M]- 318.16974858 179.7
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

patents stripe