CID 468712

Chembl17044

Structural Information

Molecular Formula
C15H17N5O3
SMILES
COC1=CC(=C(C=C1)OC)NCC2=COC3=NC(=NC(=C23)N)N
InChI
InChI=1S/C15H17N5O3/c1-21-9-3-4-11(22-2)10(5-9)18-6-8-7-23-14-12(8)13(16)19-15(17)20-14/h3-5,7,18H,6H2,1-2H3,(H4,16,17,19,20)
InChIKey
PKKNZBRQGXNJCE-UHFFFAOYSA-N
Compound name
5-[(2,5-dimethoxyanilino)methyl]furo[2,3-d]pyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

315.13315 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.14043 171.5
[M+Na]+ 338.12237 181.7
[M-H]- 314.12587 178.1
[M+NH4]+ 333.16697 184.1
[M+K]+ 354.09631 178.6
[M+H-H2O]+ 298.13041 162.2
[M+HCOO]- 360.13135 196.3
[M+CH3COO]- 374.14700 214.4
[M+Na-2H]- 336.10782 177.2
[M]+ 315.13260 175.9
[M]- 315.13370 175.9
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.