CID 216493

2,4-diamino-5-(2,3-dimethoxybenzyl)pyrimidine

Structural Information

Molecular Formula
C13H16N4O2
SMILES
COC1=CC=CC(=C1OC)CC2=CN=C(N=C2N)N
InChI
InChI=1S/C13H16N4O2/c1-18-10-5-3-4-8(11(10)19-2)6-9-7-16-13(15)17-12(9)14/h3-5,7H,6H2,1-2H3,(H4,14,15,16,17)
InChIKey
IURBSWPLAMHMIG-UHFFFAOYSA-N
Compound name
5-[(2,3-dimethoxyphenyl)methyl]pyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

260.12732 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.13460 160.3
[M+Na]+ 283.11654 169.2
[M-H]- 259.12004 164.3
[M+NH4]+ 278.16114 173.8
[M+K]+ 299.09048 165.4
[M+H-H2O]+ 243.12458 151.0
[M+HCOO]- 305.12552 183.5
[M+CH3COO]- 319.14117 202.1
[M+Na-2H]- 281.10199 164.8
[M]+ 260.12677 161.0
[M]- 260.12787 161.0
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