CID 3614260

4,4-dimethyl-n-(2-methylphenyl)-4,5-dihydro-1,3-thiazol-2-amine

Structural Information

Molecular Formula
C12H16N2S
SMILES
CC1=CC=CC=C1NC2=NC(CS2)(C)C
InChI
InChI=1S/C12H16N2S/c1-9-6-4-5-7-10(9)13-11-14-12(2,3)8-15-11/h4-7H,8H2,1-3H3,(H,13,14)
InChIKey
IRGXRYYMIMGNGV-UHFFFAOYSA-N
Compound name
4,4-dimethyl-N-(2-methylphenyl)-5H-1,3-thiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

220.10342 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.11070 147.0
[M+Na]+ 243.09264 156.1
[M-H]- 219.09614 153.2
[M+NH4]+ 238.13724 168.8
[M+K]+ 259.06658 152.3
[M+H-H2O]+ 203.10068 140.7
[M+HCOO]- 265.10162 166.2
[M+CH3COO]- 279.11727 160.4
[M+Na-2H]- 241.07809 150.0
[M]+ 220.10287 148.1
[M]- 220.10397 148.1
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.