CID 451788

143467-57-6

Structural Information

Molecular Formula
C15H19N3O4
SMILES
COC1=CC(=CC(=C1OC)OC)CC2=CC(=NC(=N2)OC)N
InChI
InChI=1S/C15H19N3O4/c1-19-11-6-9(7-12(20-2)14(11)21-3)5-10-8-13(16)18-15(17-10)22-4/h6-8H,5H2,1-4H3,(H2,16,17,18)
InChIKey
BOYNOZRJWFYARX-UHFFFAOYSA-N
Compound name
2-methoxy-6-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.13754 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.14482 170.9
[M+Na]+ 328.12676 180.4
[M-H]- 304.13026 175.5
[M+NH4]+ 323.17136 183.2
[M+K]+ 344.10070 177.9
[M+H-H2O]+ 288.13480 161.3
[M+HCOO]- 350.13574 193.4
[M+CH3COO]- 364.15139 209.0
[M+Na-2H]- 326.11221 174.3
[M]+ 305.13699 177.3
[M]- 305.13809 177.3
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.