CID 24252980

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

Structural Information

Molecular Formula
C13H16N2S
SMILES
CC1=CC=C(C=C1)C2=NC(=C(S2)C(C)N)C
InChI
InChI=1S/C13H16N2S/c1-8-4-6-11(7-5-8)13-15-10(3)12(16-13)9(2)14/h4-7,9H,14H2,1-3H3
InChIKey
QKBJYNKBULHDDV-UHFFFAOYSA-N
Compound name
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

232.10342 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.110696 152.0
[M+Na]+ 255.092638 161.3
[M-H]- 231.096144 158.1
[M+NH4]+ 250.137243 171.2
[M+K]+ 271.066578 156.9
[M+H-H2O]+ 215.100680 145.2
[M+HCOO]- 277.101621 170.5
[M+CH3COO]- 291.117271 193.7
[M+Na-2H]- 253.078086 151.2
[M]+ 232.10287142 153.4
[M]- 232.10396858 153.4
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.