CID 494028

N-(6-chloro-9-tetrahydro-2-furanyl-9h-purin-2-yl)acetamide

Structural Information

Molecular Formula
C11H12ClN5O2
SMILES
CC(=O)NC1=NC2=C(C(=N1)Cl)N=CN2[C@@H]3CCCO3
InChI
InChI=1S/C11H12ClN5O2/c1-6(18)14-11-15-9(12)8-10(16-11)17(5-13-8)7-3-2-4-19-7/h5,7H,2-4H2,1H3,(H,14,15,16,18)/t7-/m0/s1
InChIKey
AVLFYCLDRBVFHO-ZETCQYMHSA-N
Compound name
N-[6-chloro-9-[(2S)-oxolan-2-yl]purin-2-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.06796 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.07524 161.2
[M+Na]+ 304.05718 171.6
[M-H]- 280.06068 165.0
[M+NH4]+ 299.10178 175.5
[M+K]+ 320.03112 168.2
[M+H-H2O]+ 264.06522 152.1
[M+HCOO]- 326.06616 176.0
[M+CH3COO]- 340.08181 172.8
[M+Na-2H]- 302.04263 163.9
[M]+ 281.06741 164.6
[M]- 281.06851 164.6
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.