CID 43637217

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

Structural Information

Molecular Formula
C11H11BrN2S
SMILES
CC1=C(SC(=N1)N)CC2=CC(=CC=C2)Br
InChI
InChI=1S/C11H11BrN2S/c1-7-10(15-11(13)14-7)6-8-3-2-4-9(12)5-8/h2-5H,6H2,1H3,(H2,13,14)
InChIKey
XKQIUSPCVXPJQA-UHFFFAOYSA-N
Compound name
5-[(3-bromophenyl)methyl]-4-methyl-1,3-thiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.98264 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.98992 147.3
[M+Na]+ 304.97186 161.0
[M-H]- 280.97536 156.0
[M+NH4]+ 300.01646 168.3
[M+K]+ 320.94580 147.9
[M+H-H2O]+ 264.97990 146.8
[M+HCOO]- 326.98084 165.5
[M+CH3COO]- 340.99649 162.7
[M+Na-2H]- 302.95731 150.5
[M]+ 281.98209 167.2
[M]- 281.98319 167.2
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.