CID 3993936

2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)ethan-1-amine dihydrochloride

Structural Information

Molecular Formula
C12H14N2S
SMILES
CC1=C(N=C(S1)CCN)C2=CC=CC=C2
InChI
InChI=1S/C12H14N2S/c1-9-12(10-5-3-2-4-6-10)14-11(15-9)7-8-13/h2-6H,7-8,13H2,1H3
InChIKey
WFORJBLBUGLMIU-UHFFFAOYSA-N
Compound name
2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

218.08777 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.095046 147.0
[M+Na]+ 241.076988 156.3
[M-H]- 217.080494 152.8
[M+NH4]+ 236.121593 166.6
[M+K]+ 257.050928 151.6
[M+H-H2O]+ 201.085030 140.1
[M+HCOO]- 263.085971 167.0
[M+CH3COO]- 277.101621 160.2
[M+Na-2H]- 239.062436 148.5
[M]+ 218.08722142 148.3
[M]- 218.08831858 148.3
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

patents stripe