CID 4092098

Ethyl 2-amino-6-tert-butyl-1-benzothiophene-3-carboxylate

Structural Information

Molecular Formula
C15H19NO2S
SMILES
CCOC(=O)C1=C(SC2=C1C=CC(=C2)C(C)(C)C)N
InChI
InChI=1S/C15H19NO2S/c1-5-18-14(17)12-10-7-6-9(15(2,3)4)8-11(10)19-13(12)16/h6-8H,5,16H2,1-4H3
InChIKey
UMOCWXQHQHHUTC-UHFFFAOYSA-N
Compound name
ethyl 2-amino-6-tert-butyl-1-benzothiophene-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

277.11365 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.12093 165.5
[M+Na]+ 300.10287 176.4
[M+NH4]+ 295.14747 173.6
[M+K]+ 316.07681 170.5
[M-H]- 276.10637 167.4
[M+Na-2H]- 298.08832 169.5
[M]+ 277.11310 168.0
[M]- 277.11420 168.0
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