CID 504700

Chembl49459

Structural Information

Molecular Formula
C14H16ClN3
SMILES
CC1=CC(=C(C(=C1)C)NC2=NC(=NC(=C2)C)Cl)C
InChI
InChI=1S/C14H16ClN3/c1-8-5-9(2)13(10(3)6-8)17-12-7-11(4)16-14(15)18-12/h5-7H,1-4H3,(H,16,17,18)
InChIKey
JVKXCSGGLQSXLA-UHFFFAOYSA-N
Compound name
2-chloro-6-methyl-N-(2,4,6-trimethylphenyl)pyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

261.10327 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.11055 160.1
[M+Na]+ 284.09249 171.4
[M-H]- 260.09599 164.9
[M+NH4]+ 279.13709 175.8
[M+K]+ 300.06643 165.2
[M+H-H2O]+ 244.10053 152.1
[M+HCOO]- 306.10147 178.1
[M+CH3COO]- 320.11712 201.7
[M+Na-2H]- 282.07794 164.4
[M]+ 261.10272 163.5
[M]- 261.10382 163.5
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

No patent data available for this compound.