CID 12849769

27653-69-6

Structural Information

Molecular Formula
C13H16N4O3
SMILES
COC1=CC(=CC(=C1OC)O)CC2=CN=C(N=C2N)N
InChI
InChI=1S/C13H16N4O3/c1-19-10-5-7(4-9(18)11(10)20-2)3-8-6-16-13(15)17-12(8)14/h4-6,18H,3H2,1-2H3,(H4,14,15,16,17)
InChIKey
HWBPOLWLLFXEJY-UHFFFAOYSA-N
Compound name
5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

42
Patents

276.12225 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.12953 164.0
[M+Na]+ 299.11147 173.2
[M-H]- 275.11497 167.1
[M+NH4]+ 294.15607 176.3
[M+K]+ 315.08541 169.4
[M+H-H2O]+ 259.11951 155.0
[M+HCOO]- 321.12045 185.9
[M+CH3COO]- 335.13610 203.4
[M+Na-2H]- 297.09692 167.4
[M]+ 276.12170 164.8
[M]- 276.12280 164.8
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.