CID 53534953

1-[2-(4-bromophenyl)-4-methyl-1,3-thiazol-5-yl]ethan-1-amine hydrochloride

Structural Information

Molecular Formula
C12H13BrN2S
SMILES
CC1=C(SC(=N1)C2=CC=C(C=C2)Br)C(C)N
InChI
InChI=1S/C12H13BrN2S/c1-7(14)11-8(2)15-12(16-11)9-3-5-10(13)6-4-9/h3-7H,14H2,1-2H3
InChIKey
DKIXVPMMJGAICQ-UHFFFAOYSA-N
Compound name
1-[2-(4-bromophenyl)-4-methyl-1,3-thiazol-5-yl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.9983 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.005576 152.5
[M+Na]+ 318.987518 165.4
[M-H]- 294.991024 161.1
[M+NH4]+ 314.032123 172.8
[M+K]+ 334.961458 152.6
[M+H-H2O]+ 278.995560 151.9
[M+HCOO]- 340.996501 169.3
[M+CH3COO]- 355.012151 167.3
[M+Na-2H]- 316.972966 154.2
[M]+ 295.99775142 172.1
[M]- 295.99884858 172.1
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.