CID 11971060

4-methyl-n-(1-methyl-2-phenylethyl)-5-thiazoleethanamine hydrochloride

Structural Information

Molecular Formula
C15H20N2S
SMILES
CC1=C(SC=N1)CCNC(C)CC2=CC=CC=C2
InChI
InChI=1S/C15H20N2S/c1-12(10-14-6-4-3-5-7-14)16-9-8-15-13(2)17-11-18-15/h3-7,11-12,16H,8-10H2,1-2H3
InChIKey
RDCKLHJBBVJKRL-UHFFFAOYSA-N
Compound name
N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1-phenylpropan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.1347 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.14198 160.7
[M+Na]+ 283.12392 167.3
[M-H]- 259.12742 166.0
[M+NH4]+ 278.16852 178.3
[M+K]+ 299.09786 162.8
[M+H-H2O]+ 243.13196 152.9
[M+HCOO]- 305.13290 179.2
[M+CH3COO]- 319.14855 198.1
[M+Na-2H]- 281.10937 161.2
[M]+ 260.13415 162.9
[M]- 260.13525 162.9
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.