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]+ 221.11070 148.2
[M+Na]+ 243.09264 155.6
[M-H]- 219.09614 153.7
[M+NH4]+ 238.13724 167.6
[M+K]+ 259.06658 151.6
[M+H-H2O]+ 203.10068 140.9
[M+HCOO]- 265.10162 167.4
[M+CH3COO]- 279.11727 160.8
[M+Na-2H]- 241.07809 150.4
[M]+ 220.10287 148.6
[M]- 220.10397 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.