CID 43431838

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

Structural Information

Molecular Formula
C12H14N2S
SMILES
CC1=CC(=CC=C1)CC2=C(N=C(S2)N)C
InChI
InChI=1S/C12H14N2S/c1-8-4-3-5-10(6-8)7-11-9(2)14-12(13)15-11/h3-6H,7H2,1-2H3,(H2,13,14)
InChIKey
WUAKMVRSFZDZCX-UHFFFAOYSA-N
Compound name
4-methyl-5-[(3-methylphenyl)methyl]-1,3-thiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.08777 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.09505 147.1
[M+Na]+ 241.07699 157.2
[M-H]- 217.08049 153.2
[M+NH4]+ 236.12159 167.0
[M+K]+ 257.05093 152.5
[M+H-H2O]+ 201.08503 140.4
[M+HCOO]- 263.08597 167.0
[M+CH3COO]- 277.10162 160.6
[M+Na-2H]- 239.06244 147.9
[M]+ 218.08722 148.7
[M]- 218.08832 148.7
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.