CID 16227172

882320-68-5

Structural Information

Molecular Formula
C8H8ClN5O
SMILES
CC(C(=O)NC1=NC=NC2=C1NC=N2)Cl
InChI
InChI=1S/C8H8ClN5O/c1-4(9)8(15)14-7-5-6(11-2-10-5)12-3-13-7/h2-4H,1H3,(H2,10,11,12,13,14,15)
InChIKey
HPDLPBABDWHGOE-UHFFFAOYSA-N
Compound name
2-chloro-N-(7H-purin-6-yl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.04173 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.04901 144.6
[M+Na]+ 248.03095 154.8
[M-H]- 224.03445 143.1
[M+NH4]+ 243.07555 160.1
[M+K]+ 264.00489 150.1
[M+H-H2O]+ 208.03899 136.4
[M+HCOO]- 270.03993 159.5
[M+CH3COO]- 284.05558 156.2
[M+Na-2H]- 246.01640 151.4
[M]+ 225.04118 146.2
[M]- 225.04228 146.2
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.