CID 79839176

1510426-79-5

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.96698 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.97426 142.8
[M+Na]+ 290.95620 157.1
[M-H]- 266.95970 151.7
[M+NH4]+ 286.00080 164.4
[M+K]+ 306.93014 144.2
[M+H-H2O]+ 250.96424 142.6
[M+HCOO]- 312.96518 161.4
[M+CH3COO]- 326.98083 158.7
[M+Na-2H]- 288.94165 146.6
[M]+ 267.96643 162.5
[M]- 267.96753 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

No patent data available for this compound.