CID 6482463

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

Structural Information

Molecular Formula
C18H22N4O4
SMILES
CC(CC1=COC2=NC(=NC(=C12)N)N)C3=CC(=C(C(=C3)OC)OC)OC
InChI
InChI=1S/C18H22N4O4/c1-9(10-6-12(23-2)15(25-4)13(7-10)24-3)5-11-8-26-17-14(11)16(19)21-18(20)22-17/h6-9H,5H2,1-4H3,(H4,19,20,21,22)
InChIKey
DTHYHDYOBDIAEU-UHFFFAOYSA-N
Compound name
5-[2-(3,4,5-trimethoxyphenyl)propyl]furo[2,3-d]pyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

358.1641 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.17138 186.8
[M+Na]+ 381.15332 196.7
[M-H]- 357.15682 193.3
[M+NH4]+ 376.19792 198.0
[M+K]+ 397.12726 194.3
[M+H-H2O]+ 341.16136 177.4
[M+HCOO]- 403.16230 208.5
[M+CH3COO]- 417.17795 222.4
[M+Na-2H]- 379.13877 188.2
[M]+ 358.16355 193.9
[M]- 358.16465 193.9
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.