CID 703924

315683-17-1

Structural Information

Molecular Formula
C16H19NO2S
SMILES
CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)C(C)C)N
InChI
InChI=1S/C16H19NO2S/c1-4-19-16(18)14-13(9-20-15(14)17)12-7-5-11(6-8-12)10(2)3/h5-10H,4,17H2,1-3H3
InChIKey
AVVSSBPDKUXIQQ-UHFFFAOYSA-N
Compound name
ethyl 2-amino-4-(4-propan-2-ylphenyl)thiophene-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.11365 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.12093 168.6
[M+Na]+ 312.10287 176.1
[M-H]- 288.10637 175.5
[M+NH4]+ 307.14747 186.4
[M+K]+ 328.07681 172.1
[M+H-H2O]+ 272.11091 161.9
[M+HCOO]- 334.11185 186.9
[M+CH3COO]- 348.12750 203.6
[M+Na-2H]- 310.08832 165.5
[M]+ 289.11310 171.9
[M]- 289.11420 171.9
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

No patent data available for this compound.