CID 135508752

(z)-9-[[trans-(3-fluoro-2-hydroxymethyl)cyclopropyllidene]methyl]guanine

Structural Information

Molecular Formula
C10H10FN5O2
SMILES
C1=NC2=C(N1/C=C\3/[C@@H]([C@H]3F)CO)N=C(NC2=O)N
InChI
InChI=1S/C10H10FN5O2/c11-6-4(5(6)2-17)1-16-3-13-7-8(16)14-10(12)15-9(7)18/h1,3,5-6,17H,2H2,(H3,12,14,15,18)/b4-1-/t5-,6-/m0/s1
InChIKey
YUHXIXQLYFGRNM-CQHDBRBHSA-N
Compound name
2-amino-9-[(Z)-[(2R,3R)-2-fluoro-3-(hydroxymethyl)cyclopropylidene]methyl]-1H-purin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

251.08185 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.08913 162.1
[M+Na]+ 274.07107 176.6
[M-H]- 250.07457 162.5
[M+NH4]+ 269.11567 171.1
[M+K]+ 290.04501 167.1
[M+H-H2O]+ 234.07911 153.6
[M+HCOO]- 296.08005 180.4
[M+CH3COO]- 310.09570 172.7
[M+Na-2H]- 272.05652 164.7
[M]+ 251.08130 163.3
[M]- 251.08240 163.3
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.