CID 4739220

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

Structural Information

Molecular Formula
C12H14N2S
SMILES
CC1=C(C=C(C=C1)CC2=CN=C(S2)N)C
InChI
InChI=1S/C12H14N2S/c1-8-3-4-10(5-9(8)2)6-11-7-14-12(13)15-11/h3-5,7H,6H2,1-2H3,(H2,13,14)
InChIKey
KISOHOLEJPVTJI-UHFFFAOYSA-N
Compound name
5-[(3,4-dimethylphenyl)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]+ 219.095046 147.1
[M+Na]+ 241.076988 157.2
[M-H]- 217.080494 153.2
[M+NH4]+ 236.121593 167.0
[M+K]+ 257.050928 152.5
[M+H-H2O]+ 201.085030 140.4
[M+HCOO]- 263.085971 167.0
[M+CH3COO]- 277.101621 160.6
[M+Na-2H]- 239.062436 147.9
[M]+ 218.08722142 148.7
[M]- 218.08831858 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.