CID 468709

Chembl16950

Structural Information

Molecular Formula
C16H19N5O4
SMILES
COC1=CC(=CC(=C1OC)OC)NCC2=COC3=NC(=NC(=C23)N)N
InChI
InChI=1S/C16H19N5O4/c1-22-10-4-9(5-11(23-2)13(10)24-3)19-6-8-7-25-15-12(8)14(17)20-16(18)21-15/h4-5,7,19H,6H2,1-3H3,(H4,17,18,20,21)
InChIKey
PQRAIAZIJGMIFB-UHFFFAOYSA-N
Compound name
5-[(3,4,5-trimethoxyanilino)methyl]furo[2,3-d]pyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

345.1437 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.15098 179.8
[M+Na]+ 368.13292 190.0
[M-H]- 344.13642 186.6
[M+NH4]+ 363.17752 191.3
[M+K]+ 384.10686 187.5
[M+H-H2O]+ 328.14096 170.3
[M+HCOO]- 390.14190 204.3
[M+CH3COO]- 404.15755 221.1
[M+Na-2H]- 366.11837 184.3
[M]+ 345.14315 186.3
[M]- 345.14425 186.3
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.