CID 135424607

D-2'f-c-d4g

Structural Information

Molecular Formula
C11H12FN5O2
SMILES
C1[C@@H](C=C([C@@H]1N2C=NC3=C2N=C(NC3=O)N)F)CO
InChI
InChI=1S/C11H12FN5O2/c12-6-1-5(3-18)2-7(6)17-4-14-8-9(17)15-11(13)16-10(8)19/h1,4-5,7,18H,2-3H2,(H3,13,15,16,19)/t5-,7-/m1/s1
InChIKey
AWYDSHIZEMQIKZ-IYSWYEEDSA-N
Compound name
2-amino-9-[(1R,4S)-2-fluoro-4-(hydroxymethyl)cyclopent-2-en-1-yl]-1H-purin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

265.0975 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.10478 155.9
[M+Na]+ 288.08672 167.8
[M-H]- 264.09022 156.2
[M+NH4]+ 283.13132 170.5
[M+K]+ 304.06066 161.9
[M+H-H2O]+ 248.09476 147.1
[M+HCOO]- 310.09570 174.3
[M+CH3COO]- 324.11135 167.3
[M+Na-2H]- 286.07217 157.4
[M]+ 265.09695 154.5
[M]- 265.09805 154.5
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.