CID 463809

2-methoxy-6-(3,4,5-trimethoxybenzenecarboximidoyl)pyrimidin-4-amine

Structural Information

Molecular Formula
C15H18N4O4
SMILES
COC1=CC(=CC(=C1OC)OC)C(=N)C2=CC(=NC(=N2)OC)N
InChI
InChI=1S/C15H18N4O4/c1-20-10-5-8(6-11(21-2)14(10)22-3)13(17)9-7-12(16)19-15(18-9)23-4/h5-7,17H,1-4H3,(H2,16,18,19)
InChIKey
WLEXYRGAUMSUFC-UHFFFAOYSA-N
Compound name
2-methoxy-6-(3,4,5-trimethoxybenzenecarboximidoyl)pyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.1328 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.14008 173.7
[M+Na]+ 341.12202 182.2
[M-H]- 317.12552 178.4
[M+NH4]+ 336.16662 184.9
[M+K]+ 357.09596 179.7
[M+H-H2O]+ 301.13006 163.9
[M+HCOO]- 363.13100 196.4
[M+CH3COO]- 377.14665 214.6
[M+Na-2H]- 339.10747 176.5
[M]+ 318.13225 178.1
[M]- 318.13335 178.1
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

No patent data available for this compound.