CID 2728477

308088-19-9

Structural Information

Molecular Formula
C14H11ClN4S
SMILES
CC1=C(SC(=N1)C2=CC=C(C=C2)Cl)C3=NC(=NC=C3)N
InChI
InChI=1S/C14H11ClN4S/c1-8-12(11-6-7-17-14(16)19-11)20-13(18-8)9-2-4-10(15)5-3-9/h2-7H,1H3,(H2,16,17,19)
InChIKey
AEVGCUSOXYKFKL-UHFFFAOYSA-N
Compound name
4-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]pyrimidin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.0393 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.04658 166.5
[M+Na]+ 325.02852 183.0
[M+NH4]+ 320.07312 175.4
[M+K]+ 341.00246 174.2
[M-H]- 301.03202 172.5
[M+Na-2H]- 323.01397 176.5
[M]+ 302.03875 171.5
[M]- 302.03985 171.5
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.