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]+ 359.171376 186.8
[M+Na]+ 381.153318 196.7
[M-H]- 357.156824 193.3
[M+NH4]+ 376.197923 198.0
[M+K]+ 397.127258 194.3
[M+H-H2O]+ 341.161360 177.4
[M+HCOO]- 403.162301 208.5
[M+CH3COO]- 417.177951 222.4
[M+Na-2H]- 379.138766 188.2
[M]+ 358.16355142 193.9
[M]- 358.16464858 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.