CID 473575

2,6-diamino-8-(9'-fluorenyl)purine

Structural Information

Molecular Formula
C18H14N6
SMILES
C1C2=CC=CC=C2C3=C1C=C(C=C3)C4=NC5=NC(=NC(=C5N4)N)N
InChI
InChI=1S/C18H14N6/c19-15-14-17(24-18(20)22-15)23-16(21-14)10-5-6-13-11(8-10)7-9-3-1-2-4-12(9)13/h1-6,8H,7H2,(H5,19,20,21,22,23,24)
InChIKey
DVJQWJUNQDPSGR-UHFFFAOYSA-N
Compound name
8-(9H-fluoren-2-yl)-7H-purine-2,6-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

314.128 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.13528 169.6
[M+Na]+ 337.11722 181.8
[M-H]- 313.12072 174.2
[M+NH4]+ 332.16182 184.2
[M+K]+ 353.09116 173.2
[M+H-H2O]+ 297.12526 160.6
[M+HCOO]- 359.12620 189.1
[M+CH3COO]- 373.14185 180.6
[M+Na-2H]- 335.10267 175.0
[M]+ 314.12745 169.3
[M]- 314.12855 169.3
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.