CID 2470558

4-(4-bromophenyl)-n-(3,5-dimethylphenyl)-1,3-thiazol-2-amine

Structural Information

Molecular Formula
C17H15BrN2S
SMILES
CC1=CC(=CC(=C1)NC2=NC(=CS2)C3=CC=C(C=C3)Br)C
InChI
InChI=1S/C17H15BrN2S/c1-11-7-12(2)9-15(8-11)19-17-20-16(10-21-17)13-3-5-14(18)6-4-13/h3-10H,1-2H3,(H,19,20)
InChIKey
NZKSRIXEMOFQOE-UHFFFAOYSA-N
Compound name
4-(4-bromophenyl)-N-(3,5-dimethylphenyl)-1,3-thiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

358.01392 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.02120 167.9
[M+Na]+ 381.00314 181.1
[M-H]- 357.00664 179.9
[M+NH4]+ 376.04774 186.1
[M+K]+ 396.97708 167.2
[M+H-H2O]+ 341.01118 166.7
[M+HCOO]- 403.01212 186.3
[M+CH3COO]- 417.02777 182.3
[M+Na-2H]- 378.98859 170.8
[M]+ 358.01337 188.8
[M]- 358.01447 188.8
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