CID 6482466

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

Structural Information

Molecular Formula
C21H20N4O
SMILES
CC(CC1=COC2=NC(=NC(=C12)N)N)C3=CC=C(C=C3)C4=CC=CC=C4
InChI
InChI=1S/C21H20N4O/c1-13(11-17-12-26-20-18(17)19(22)24-21(23)25-20)14-7-9-16(10-8-14)15-5-3-2-4-6-15/h2-10,12-13H,11H2,1H3,(H4,22,23,24,25)
InChIKey
HYLJEZVGBUWFHN-UHFFFAOYSA-N
Compound name
5-[2-(4-phenylphenyl)propyl]furo[2,3-d]pyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

344.1637 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.17098 183.7
[M+Na]+ 367.15292 192.6
[M-H]- 343.15642 192.6
[M+NH4]+ 362.19752 194.7
[M+K]+ 383.12686 186.7
[M+H-H2O]+ 327.16096 173.4
[M+HCOO]- 389.16190 205.3
[M+CH3COO]- 403.17755 194.3
[M+Na-2H]- 365.13837 187.2
[M]+ 344.16315 184.4
[M]- 344.16425 184.4
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.