CID 722858

83822-33-7

Structural Information

Molecular Formula
C16H18N2O2S
SMILES
COC1=CC=C(C=C1)NC(=O)C2=C(SC3=C2CCCC3)N
InChI
InChI=1S/C16H18N2O2S/c1-20-11-8-6-10(7-9-11)18-16(19)14-12-4-2-3-5-13(12)21-15(14)17/h6-9H,2-5,17H2,1H3,(H,18,19)
InChIKey
ZVCHKLYMJWMDHO-UHFFFAOYSA-N
Compound name
2-amino-N-(4-methoxyphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

302.1089 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.11618 167.6
[M+Na]+ 325.09812 177.6
[M+NH4]+ 320.14272 176.4
[M+K]+ 341.07206 171.0
[M-H]- 301.10162 172.6
[M+Na-2H]- 323.08357 173.1
[M]+ 302.10835 170.7
[M]- 302.10945 170.7
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