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]+ 207.095046 143.8
[M+Na]+ 229.076988 151.7
[M-H]- 205.080494 149.5
[M+NH4]+ 224.121593 163.8
[M+K]+ 245.050928 147.9
[M+H-H2O]+ 189.085030 136.8
[M+HCOO]- 251.085971 163.4
[M+CH3COO]- 265.101621 156.8
[M+Na-2H]- 227.062436 146.5
[M]+ 206.08722142 143.8
[M]- 206.08831858 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