CID 511006

1,1-cyclopropanedimethanol, 2-[(6-amino-2-hydroxy-9h-purin-9-yl)methyl]-2-fluoro-, (2s)-

Structural Information

Molecular Formula
C11H14FN5O3
SMILES
C1[C@](C1(CO)CO)(CN2C=NC3=C(NC(=O)N=C32)N)F
InChI
InChI=1S/C11H14FN5O3/c12-11(1-10(11,3-18)4-19)2-17-5-14-6-7(13)15-9(20)16-8(6)17/h5,18-19H,1-4H2,(H3,13,15,16,20)/t11-/m1/s1
InChIKey
LAZMYVUACBGRFI-LLVKDONJSA-N
Compound name
6-amino-9-[[(1S)-1-fluoro-2,2-bis(hydroxymethyl)cyclopropyl]methyl]-1H-purin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

283.10806 Da
Monoisotopic Mass

-2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.11534 166.6
[M+Na]+ 306.09728 180.4
[M-H]- 282.10078 165.9
[M+NH4]+ 301.14188 177.2
[M+K]+ 322.07122 173.2
[M+H-H2O]+ 266.10532 160.0
[M+HCOO]- 328.10626 182.6
[M+CH3COO]- 342.12191 176.7
[M+Na-2H]- 304.08273 172.0
[M]+ 283.10751 169.5
[M]- 283.10861 169.5
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.