CID 5037694

101862-47-9

Structural Information

Molecular Formula
C10H8ClN5O
SMILES
C1=COC(=C1)CNC2=NC(=NC3=C2NC=N3)Cl
InChI
InChI=1S/C10H8ClN5O/c11-10-15-8(7-9(16-10)14-5-13-7)12-4-6-2-1-3-17-6/h1-3,5H,4H2,(H2,12,13,14,15,16)
InChIKey
QGUOPVCOXHVPJX-UHFFFAOYSA-N
Compound name
2-chloro-N-(furan-2-ylmethyl)-7H-purin-6-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

37
Patents

249.04173 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.04901 150.1
[M+Na]+ 272.03095 161.8
[M-H]- 248.03445 152.8
[M+NH4]+ 267.07555 165.0
[M+K]+ 288.00489 156.9
[M+H-H2O]+ 232.03899 141.1
[M+HCOO]- 294.03993 167.2
[M+CH3COO]- 308.05558 162.5
[M+Na-2H]- 270.01640 156.7
[M]+ 249.04118 153.7
[M]- 249.04228 153.7
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