CID 3025150

Pyrimidine, 4-amino-6-chloro-2-methyl-5-propyl-

Structural Information

Molecular Formula
C8H12ClN3
SMILES
CCCC1=C(N=C(N=C1Cl)C)N
InChI
InChI=1S/C8H12ClN3/c1-3-4-6-7(9)11-5(2)12-8(6)10/h3-4H2,1-2H3,(H2,10,11,12)
InChIKey
SXQMJEPZOPQUMZ-UHFFFAOYSA-N
Compound name
6-chloro-2-methyl-5-propylpyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

185.07198 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.079256 139.0
[M+Na]+ 208.061198 149.6
[M-H]- 184.064704 139.9
[M+NH4]+ 203.105803 157.3
[M+K]+ 224.035138 145.3
[M+H-H2O]+ 168.069240 132.7
[M+HCOO]- 230.070181 156.9
[M+CH3COO]- 244.085831 185.1
[M+Na-2H]- 206.046646 144.3
[M]+ 185.07143142 140.7
[M]- 185.07252858 140.7
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

patents stripe