CID 135460987

9-(5,5-difluoro-5-phosphonopentyl)guanine

Structural Information

Molecular Formula
C10H14F2N5O4P
SMILES
C1=NC2=C(N1CCCCC(F)(F)P(=O)(O)O)N=C(NC2=O)N
InChI
InChI=1S/C10H14F2N5O4P/c11-10(12,22(19,20)21)3-1-2-4-17-5-14-6-7(17)15-9(13)16-8(6)18/h5H,1-4H2,(H2,19,20,21)(H3,13,15,16,18)
InChIKey
JANQQPWTLXUSCD-UHFFFAOYSA-N
Compound name
[5-(2-amino-6-oxo-1H-purin-9-yl)-1,1-difluoropentyl]phosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

64
Patents

337.07513 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.08241 175.7
[M+Na]+ 360.06435 184.5
[M-H]- 336.06785 168.1
[M+NH4]+ 355.10895 184.7
[M+K]+ 376.03829 180.0
[M+H-H2O]+ 320.07239 164.4
[M+HCOO]- 382.07333 192.7
[M+CH3COO]- 396.08898 203.7
[M+Na-2H]- 358.04980 178.1
[M]+ 337.07458 174.1
[M]- 337.07568 174.1
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

patents stripe