CID 3043553

Brn 5992024

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

318.1692 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.17648 177.1
[M+Na]+ 341.15842 188.4
[M+NH4]+ 336.20302 182.0
[M+K]+ 357.13236 183.7
[M-H]- 317.16192 179.6
[M+Na-2H]- 339.14387 182.1
[M]+ 318.16865 179.1
[M]- 318.16975 179.1
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