CID 1484288

339016-18-1

Structural Information

Molecular Formula
C8H11ClN4O
SMILES
C1COCCN1C2=CC(=NC(=N2)N)Cl
InChI
InChI=1S/C8H11ClN4O/c9-6-5-7(12-8(10)11-6)13-1-3-14-4-2-13/h5H,1-4H2,(H2,10,11,12)
InChIKey
CWKCJXZYXLANTB-UHFFFAOYSA-N
Compound name
4-chloro-6-morpholin-4-ylpyrimidin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

50
Patents

214.06213 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.06941 146.4
[M+Na]+ 237.05135 154.3
[M-H]- 213.05485 148.6
[M+NH4]+ 232.09595 159.7
[M+K]+ 253.02529 151.1
[M+H-H2O]+ 197.05939 137.3
[M+HCOO]- 259.06033 159.3
[M+CH3COO]- 273.07598 157.5
[M+Na-2H]- 235.03680 152.5
[M]+ 214.06158 143.5
[M]- 214.06268 143.5
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