CID 72455

Arprinocid-n-oxide

Structural Information

Molecular Formula
C12H9ClFN5O
SMILES
C1=CC(=C(C(=C1)Cl)CN2C=NC3=C2N=CN(C3=N)O)F
InChI
InChI=1S/C12H9ClFN5O/c13-8-2-1-3-9(14)7(8)4-18-5-16-10-11(15)19(20)6-17-12(10)18/h1-3,5-6,15,20H,4H2
InChIKey
PUVNMSNIOJELAB-UHFFFAOYSA-N
Compound name
9-[(2-chloro-6-fluorophenyl)methyl]-1-hydroxypurin-6-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

293.04797 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.05525 161.9
[M+Na]+ 316.03719 175.9
[M-H]- 292.04069 163.3
[M+NH4]+ 311.08179 175.3
[M+K]+ 332.01113 167.8
[M+H-H2O]+ 276.04523 152.0
[M+HCOO]- 338.04617 177.5
[M+CH3COO]- 352.06182 173.6
[M+Na-2H]- 314.02264 167.4
[M]+ 293.04742 164.5
[M]- 293.04852 164.5
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.