CID 475759

5-(3,4,5-trimethoxyphenyl)furo[2,3-d]pyrimidine-2,4-diamine

Structural Information

Molecular Formula
C15H16N4O4
SMILES
COC1=CC(=CC(=C1OC)OC)C2=COC3=NC(=NC(=C23)N)N
InChI
InChI=1S/C15H16N4O4/c1-20-9-4-7(5-10(21-2)12(9)22-3)8-6-23-14-11(8)13(16)18-15(17)19-14/h4-6H,1-3H3,(H4,16,17,18,19)
InChIKey
OIEQRANJTJPDDO-UHFFFAOYSA-N
Compound name
5-(3,4,5-trimethoxyphenyl)furo[2,3-d]pyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

316.11716 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.12444 172.4
[M+Na]+ 339.10638 184.1
[M-H]- 315.10988 179.3
[M+NH4]+ 334.15098 185.5
[M+K]+ 355.08032 181.6
[M+H-H2O]+ 299.11442 163.5
[M+HCOO]- 361.11536 196.2
[M+CH3COO]- 375.13101 212.6
[M+Na-2H]- 337.09183 176.6
[M]+ 316.11661 179.2
[M]- 316.11771 179.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.