CID 867893

2-amino-n-(4-methylphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Structural Information

Molecular Formula
C16H18N2OS
SMILES
CC1=CC=C(C=C1)NC(=O)C2=C(SC3=C2CCCC3)N
InChI
InChI=1S/C16H18N2OS/c1-10-6-8-11(9-7-10)18-16(19)14-12-4-2-3-5-13(12)20-15(14)17/h6-9H,2-5,17H2,1H3,(H,18,19)
InChIKey
SGILTGZRNIXPNK-UHFFFAOYSA-N
Compound name
2-amino-N-(4-methylphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.11398 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.12126 164.3
[M+Na]+ 309.10320 170.8
[M-H]- 285.10670 171.3
[M+NH4]+ 304.14780 182.8
[M+K]+ 325.07714 165.7
[M+H-H2O]+ 269.11124 157.8
[M+HCOO]- 331.11218 181.5
[M+CH3COO]- 345.12783 175.5
[M+Na-2H]- 307.08865 164.5
[M]+ 286.11343 162.4
[M]- 286.11453 162.4
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.