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]+ 299.150246 170.5
[M+Na]+ 321.132188 180.1
[M-H]- 297.135694 176.6
[M+NH4]+ 316.176793 183.9
[M+K]+ 337.106128 176.6
[M+H-H2O]+ 281.140230 161.5
[M+HCOO]- 343.141171 192.8
[M+CH3COO]- 357.156821 182.2
[M+Na-2H]- 319.117636 174.3
[M]+ 298.14242142 173.5
[M]- 298.14351858 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.