CID 58076158

851435-28-4

Structural Information

Molecular Formula
C9H10ClN5
SMILES
CC1=CC(=NN1)NC2=NC(=NC(=C2)C)Cl
InChI
InChI=1S/C9H10ClN5/c1-5-3-7(13-9(10)11-5)12-8-4-6(2)14-15-8/h3-4H,1-2H3,(H2,11,12,13,14,15)
InChIKey
CRJQXLOMFQRQSP-UHFFFAOYSA-N
Compound name
2-chloro-6-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

106
Patents

223.06247 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.06975 147.9
[M+Na]+ 246.05169 158.8
[M-H]- 222.05519 148.7
[M+NH4]+ 241.09629 162.8
[M+K]+ 262.02563 152.9
[M+H-H2O]+ 206.05973 138.9
[M+HCOO]- 268.06067 164.0
[M+CH3COO]- 282.07632 159.8
[M+Na-2H]- 244.03714 153.0
[M]+ 223.06192 148.4
[M]- 223.06302 148.4
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