CID 6483694

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

Structural Information

Molecular Formula
C19H18N4O
SMILES
CC(CC1=COC2=NC(=NC(=C12)N)N)C3=CC4=CC=CC=C4C=C3
InChI
InChI=1S/C19H18N4O/c1-11(13-7-6-12-4-2-3-5-14(12)9-13)8-15-10-24-18-16(15)17(20)22-19(21)23-18/h2-7,9-11H,8H2,1H3,(H4,20,21,22,23)
InChIKey
OUXJHDDPODJTMN-UHFFFAOYSA-N
Compound name
5-(2-naphthalen-2-ylpropyl)furo[2,3-d]pyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

318.14807 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.15535 175.7
[M+Na]+ 341.13729 185.6
[M-H]- 317.14079 182.5
[M+NH4]+ 336.18189 189.1
[M+K]+ 357.11123 180.1
[M+H-H2O]+ 301.14533 166.4
[M+HCOO]- 363.14627 196.5
[M+CH3COO]- 377.16192 186.9
[M+Na-2H]- 339.12274 180.9
[M]+ 318.14752 177.2
[M]- 318.14862 177.2
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.