CID 2731302

N-(2-ethylphenyl)-4,5-dihydro-1,3-thiazol-2-amine

Structural Information

Molecular Formula
C11H14N2S
SMILES
CCC1=CC=CC=C1NC2=NCCS2
InChI
InChI=1S/C11H14N2S/c1-2-9-5-3-4-6-10(9)13-11-12-7-8-14-11/h3-6H,2,7-8H2,1H3,(H,12,13)
InChIKey
AYHFLYLMGVTSJU-UHFFFAOYSA-N
Compound name
N-(2-ethylphenyl)-4,5-dihydro-1,3-thiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

206.08777 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.09505 143.8
[M+Na]+ 229.07699 151.7
[M-H]- 205.08049 149.5
[M+NH4]+ 224.12159 163.8
[M+K]+ 245.05093 147.9
[M+H-H2O]+ 189.08503 136.8
[M+HCOO]- 251.08597 163.4
[M+CH3COO]- 265.10162 156.8
[M+Na-2H]- 227.06244 146.5
[M]+ 206.08722 143.8
[M]- 206.08832 143.8
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

patents stripe