CID 6482459

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

Structural Information

Molecular Formula
C17H20N4O3
SMILES
CC(CC1=COC2=NC(=NC(=C12)N)N)C3=CC(=C(C=C3)OC)OC
InChI
InChI=1S/C17H20N4O3/c1-9(10-4-5-12(22-2)13(7-10)23-3)6-11-8-24-16-14(11)15(18)20-17(19)21-16/h4-5,7-9H,6H2,1-3H3,(H4,18,19,20,21)
InChIKey
OGQQCZPEVMKYPF-UHFFFAOYSA-N
Compound name
5-[2-(3,4-dimethoxyphenyl)propyl]furo[2,3-d]pyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

328.15353 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.16081 178.7
[M+Na]+ 351.14275 188.5
[M-H]- 327.14625 185.0
[M+NH4]+ 346.18735 191.1
[M+K]+ 367.11669 185.5
[M+H-H2O]+ 311.15079 169.6
[M+HCOO]- 373.15173 200.8
[M+CH3COO]- 387.16738 215.9
[M+Na-2H]- 349.12820 181.4
[M]+ 328.15298 183.8
[M]- 328.15408 183.8
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.