CID 121204755

N-(azetidin-3-yl)-6-chloro-2-methylpyrimidin-4-amine dihydrochloride

Structural Information

Molecular Formula
C8H11ClN4
SMILES
CC1=NC(=CC(=N1)Cl)NC2CNC2
InChI
InChI=1S/C8H11ClN4/c1-5-11-7(9)2-8(12-5)13-6-3-10-4-6/h2,6,10H,3-4H2,1H3,(H,11,12,13)
InChIKey
PLFZLSQWFZNPDR-UHFFFAOYSA-N
Compound name
N-(azetidin-3-yl)-6-chloro-2-methylpyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

198.06723 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.07451 139.4
[M+Na]+ 221.05645 147.1
[M-H]- 197.05995 140.2
[M+NH4]+ 216.10105 148.4
[M+K]+ 237.03039 145.2
[M+H-H2O]+ 181.06449 126.0
[M+HCOO]- 243.06543 153.5
[M+CH3COO]- 257.08108 186.3
[M+Na-2H]- 219.04190 145.7
[M]+ 198.06668 146.1
[M]- 198.06778 146.1
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.

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No patent data available for this compound.