CID 6482456

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

Structural Information

Molecular Formula
C16H18N4O2
SMILES
CC(CC1=COC2=NC(=NC(=C12)N)N)C3=CC=CC=C3OC
InChI
InChI=1S/C16H18N4O2/c1-9(11-5-3-4-6-12(11)21-2)7-10-8-22-15-13(10)14(17)19-16(18)20-15/h3-6,8-9H,7H2,1-2H3,(H4,17,18,19,20)
InChIKey
BBJGTDNHPWYPFR-UHFFFAOYSA-N
Compound name
5-[2-(2-methoxyphenyl)propyl]furo[2,3-d]pyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

298.14297 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.15025 170.5
[M+Na]+ 321.13219 180.1
[M-H]- 297.13569 176.6
[M+NH4]+ 316.17679 183.9
[M+K]+ 337.10613 176.6
[M+H-H2O]+ 281.14023 161.5
[M+HCOO]- 343.14117 192.8
[M+CH3COO]- 357.15682 182.2
[M+Na-2H]- 319.11764 174.3
[M]+ 298.14242 173.5
[M]- 298.14352 173.5
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.