CID 53534951

Methyl({1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl})amine

Structural Information

Molecular Formula
C14H18N2S
SMILES
CC1=CC=C(C=C1)C2=NC(=C(S2)C(C)NC)C
InChI
InChI=1S/C14H18N2S/c1-9-5-7-12(8-6-9)14-16-11(3)13(17-14)10(2)15-4/h5-8,10,15H,1-4H3
InChIKey
BSBZSVGIHBHQQF-UHFFFAOYSA-N
Compound name
N-methyl-1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.11906 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.12634 157.3
[M+Na]+ 269.10828 169.9
[M+NH4]+ 264.15288 166.5
[M+K]+ 285.08222 162.4
[M-H]- 245.11178 162.0
[M+Na-2H]- 267.09373 164.5
[M]+ 246.11851 160.9
[M]- 246.11961 160.9
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.