CID 135412730

(+)-9-[(1s,4s)-4-fluoro-4-hydroxymethylcyclopentan-1-yl]guanine

Structural Information

Molecular Formula
C11H14FN5O2
SMILES
C1C[C@](C[C@H]1N2C=NC3=C2N=C(NC3=O)N)(CO)F
InChI
InChI=1S/C11H14FN5O2/c12-11(4-18)2-1-6(3-11)17-5-14-7-8(17)15-10(13)16-9(7)19/h5-6,18H,1-4H2,(H3,13,15,16,19)/t6-,11-/m0/s1
InChIKey
RWVSPGSGZHBRNA-KGFZYKRKSA-N
Compound name
2-amino-9-[(1S,3S)-3-fluoro-3-(hydroxymethyl)cyclopentyl]-1H-purin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.11316 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.12044 155.4
[M+Na]+ 290.10238 166.5
[M-H]- 266.10588 155.3
[M+NH4]+ 285.14698 171.6
[M+K]+ 306.07632 161.0
[M+H-H2O]+ 250.11042 146.7
[M+HCOO]- 312.11136 172.5
[M+CH3COO]- 326.12701 166.4
[M+Na-2H]- 288.08783 158.0
[M]+ 267.11261 152.6
[M]- 267.11371 152.6
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.