CID 11269410

N-(2-chloro-6-methylphenyl)-2-[(6-chloro-2-methyl-4-pyrimidinyl)amino]-5-thiazolecarboxamide

Structural Information

Molecular Formula
C16H13Cl2N5OS
SMILES
CC1=C(C(=CC=C1)Cl)NC(=O)C2=CN=C(S2)NC3=CC(=NC(=N3)C)Cl
InChI
InChI=1S/C16H13Cl2N5OS/c1-8-4-3-5-10(17)14(8)23-15(24)11-7-19-16(25-11)22-13-6-12(18)20-9(2)21-13/h3-7H,1-2H3,(H,23,24)(H,19,20,21,22)
InChIKey
LMXUWARKUIELGT-UHFFFAOYSA-N
Compound name
N-(2-chloro-6-methylphenyl)-2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1,3-thiazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

294
Patents

393.0218 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.02908 187.1
[M+Na]+ 416.01102 197.9
[M-H]- 392.01452 193.7
[M+NH4]+ 411.05562 198.0
[M+K]+ 431.98496 190.0
[M+H-H2O]+ 376.01906 178.4
[M+HCOO]- 438.02000 195.6
[M+CH3COO]- 452.03565 197.0
[M+Na-2H]- 413.99647 186.5
[M]+ 393.02125 192.7
[M]- 393.02235 192.7
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

patents stripe