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]+ 297.00558 152.5
[M+Na]+ 318.98752 165.4
[M-H]- 294.99102 161.1
[M+NH4]+ 314.03212 172.8
[M+K]+ 334.96146 152.6
[M+H-H2O]+ 278.99556 151.9
[M+HCOO]- 340.99650 169.3
[M+CH3COO]- 355.01215 167.3
[M+Na-2H]- 316.97297 154.2
[M]+ 295.99775 172.1
[M]- 295.99885 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.