CID 716980

2-amino-4-(4-bromophenyl)-5-methylthiazole

Structural Information

Molecular Formula
C10H9BrN2S
SMILES
CC1=C(N=C(S1)N)C2=CC=C(C=C2)Br
InChI
InChI=1S/C10H9BrN2S/c1-6-9(13-10(12)14-6)7-2-4-8(11)5-3-7/h2-5H,1H3,(H2,12,13)
InChIKey
ULSZADQFOHESKR-UHFFFAOYSA-N
Compound name
4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

267.96698 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.974256 142.8
[M+Na]+ 290.956198 157.1
[M-H]- 266.959704 151.7
[M+NH4]+ 286.000803 164.4
[M+K]+ 306.930138 144.2
[M+H-H2O]+ 250.964240 142.6
[M+HCOO]- 312.965181 161.4
[M+CH3COO]- 326.980831 158.7
[M+Na-2H]- 288.941646 146.6
[M]+ 267.96643142 162.5
[M]- 267.96752858 162.5
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

patents stripe