CID 478878

Chembl23658

Structural Information

Molecular Formula
C14H15N5O2
SMILES
COC1=CC=CC(=C1)NCC2=COC3=NC(=NC(=C23)N)N
InChI
InChI=1S/C14H15N5O2/c1-20-10-4-2-3-9(5-10)17-6-8-7-21-13-11(8)12(15)18-14(16)19-13/h2-5,7,17H,6H2,1H3,(H4,15,16,18,19)
InChIKey
ZOGWMLAEHZGMOA-UHFFFAOYSA-N
Compound name
5-[(3-methoxyanilino)methyl]furo[2,3-d]pyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

285.1226 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.12988 163.1
[M+Na]+ 308.11182 173.1
[M-H]- 284.11532 169.4
[M+NH4]+ 303.15642 176.7
[M+K]+ 324.08576 169.4
[M+H-H2O]+ 268.11986 153.9
[M+HCOO]- 330.12080 188.1
[M+CH3COO]- 344.13645 175.3
[M+Na-2H]- 306.09727 170.0
[M]+ 285.12205 165.4
[M]- 285.12315 165.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.