CID 2966629

5-methyl-n-(2-phenylethyl)-4,5-dihydro-1,3-thiazol-2-amine

Structural Information

Molecular Formula
C12H16N2S
SMILES
CC1CN=C(S1)NCCC2=CC=CC=C2
InChI
InChI=1S/C12H16N2S/c1-10-9-14-12(15-10)13-8-7-11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3,(H,13,14)
InChIKey
CGXLCYZPSOHWJJ-UHFFFAOYSA-N
Compound name
5-methyl-N-(2-phenylethyl)-4,5-dihydro-1,3-thiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

0
Patents

220.10342 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.110696 148.2
[M+Na]+ 243.092638 155.6
[M-H]- 219.096144 153.7
[M+NH4]+ 238.137243 167.6
[M+K]+ 259.066578 151.6
[M+H-H2O]+ 203.100680 140.9
[M+HCOO]- 265.101621 167.4
[M+CH3COO]- 279.117271 160.8
[M+Na-2H]- 241.078086 150.4
[M]+ 220.10287142 148.6
[M]- 220.10396858 148.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.