CID 817701

4-chloro-6-methoxypyrimidin-5-amine

Structural Information

Molecular Formula
C5H6ClN3O
SMILES
COC1=C(C(=NC=N1)Cl)N
InChI
InChI=1S/C5H6ClN3O/c1-10-5-3(7)4(6)8-2-9-5/h2H,7H2,1H3
InChIKey
SDMMBMBLFCTDIJ-UHFFFAOYSA-N
Compound name
4-chloro-6-methoxypyrimidin-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

53
Patents

159.01994 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.02722 127.8
[M+Na]+ 182.00916 138.6
[M-H]- 158.01266 128.8
[M+NH4]+ 177.05376 146.8
[M+K]+ 197.98310 135.6
[M+H-H2O]+ 142.01720 121.6
[M+HCOO]- 204.01814 147.0
[M+CH3COO]- 218.03379 176.9
[M+Na-2H]- 179.99461 135.5
[M]+ 159.01939 129.5
[M]- 159.02049 129.5
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