CID 6482467

5-[2-(9h-fluoren-9-yl)propyl]furo[2,3-d]pyrimidine-2,4-diamine

Structural Information

Molecular Formula
C22H20N4O
SMILES
CC(CC1=COC2=NC(=NC(=C12)N)N)C3C4=CC=CC=C4C5=CC=CC=C35
InChI
InChI=1S/C22H20N4O/c1-12(10-13-11-27-21-19(13)20(23)25-22(24)26-21)18-16-8-4-2-6-14(16)15-7-3-5-9-17(15)18/h2-9,11-12,18H,10H2,1H3,(H4,23,24,25,26)
InChIKey
JARMLUSAVFQFHC-UHFFFAOYSA-N
Compound name
5-[2-(9H-fluoren-9-yl)propyl]furo[2,3-d]pyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

356.1637 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.17098 184.4
[M+Na]+ 379.15292 194.7
[M-H]- 355.15642 192.7
[M+NH4]+ 374.19752 199.1
[M+K]+ 395.12686 188.6
[M+H-H2O]+ 339.16096 176.0
[M+HCOO]- 401.16190 204.6
[M+CH3COO]- 415.17755 195.4
[M+Na-2H]- 377.13837 187.0
[M]+ 356.16315 187.0
[M]- 356.16425 187.0
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.