CID 10422963

Schembl2315395

Structural Information

Molecular Formula
C11H12FN5O2
SMILES
C1/C(=C/N2C=NC3=C2N=C(N=C3F)N)/C1(CO)CO
InChI
InChI=1S/C11H12FN5O2/c12-8-7-9(16-10(13)15-8)17(5-14-7)2-6-1-11(6,3-18)4-19/h2,5,18-19H,1,3-4H2,(H2,13,15,16)/b6-2-
InChIKey
HZCOCXVXPHTSQM-KXFIGUGUSA-N
Compound name
[(2Z)-2-[(2-amino-6-fluoropurin-9-yl)methylidene]-1-(hydroxymethyl)cyclopropyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

9
Patents

265.0975 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.10478 165.0
[M+Na]+ 288.08672 178.8
[M-H]- 264.09022 165.3
[M+NH4]+ 283.13132 175.1
[M+K]+ 304.06066 170.8
[M+H-H2O]+ 248.09476 157.0
[M+HCOO]- 310.09570 182.7
[M+CH3COO]- 324.11135 175.4
[M+Na-2H]- 286.07217 169.3
[M]+ 265.09695 167.4
[M]- 265.09805 167.4
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