CID 2728477

4-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]pyrimidin-2-amine

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 166.2
[M+Na]+ 325.02852 178.5
[M-H]- 301.03202 173.0
[M+NH4]+ 320.07312 180.5
[M+K]+ 341.00246 170.7
[M+H-H2O]+ 285.03656 157.6
[M+HCOO]- 347.03750 179.6
[M+CH3COO]- 361.05315 178.2
[M+Na-2H]- 323.01397 167.0
[M]+ 302.03875 169.4
[M]- 302.03985 169.4
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

No patent data available for this compound.