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]+ 199.074506 139.4
[M+Na]+ 221.056448 147.1
[M-H]- 197.059954 140.2
[M+NH4]+ 216.101053 148.4
[M+K]+ 237.030388 145.2
[M+H-H2O]+ 181.064490 126.0
[M+HCOO]- 243.065431 153.5
[M+CH3COO]- 257.081081 186.3
[M+Na-2H]- 219.041896 145.7
[M]+ 198.06668142 146.1
[M]- 198.06777858 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.

Patent stripe

No patent data available for this compound.