CID 16227172

2-chloro-n-(1h-purin-6-yl)propanamide

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 143.7
[M+Na]+ 248.03095 156.0
[M+NH4]+ 243.07555 150.0
[M+K]+ 264.00489 153.0
[M-H]- 224.03445 142.8
[M+Na-2H]- 246.01640 149.1
[M]+ 225.04118 145.1
[M]- 225.04228 145.1
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.