CID 675967

2-(((2-methylphenoxy)ac)amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Structural Information

Molecular Formula
C18H20N2O3S
SMILES
CC1=CC=CC=C1OCC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)N
InChI
InChI=1S/C18H20N2O3S/c1-11-6-2-4-8-13(11)23-10-15(21)20-18-16(17(19)22)12-7-3-5-9-14(12)24-18/h2,4,6,8H,3,5,7,9-10H2,1H3,(H2,19,22)(H,20,21)
InChIKey
WEUBTBSNEMHGAP-UHFFFAOYSA-N
Compound name
2-[[2-(2-methylphenoxy)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

344.11948 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.126756 179.2
[M+Na]+ 367.108698 184.1
[M-H]- 343.112204 185.7
[M+NH4]+ 362.153303 194.7
[M+K]+ 383.082638 179.8
[M+H-H2O]+ 327.116740 172.1
[M+HCOO]- 389.117681 195.1
[M+CH3COO]- 403.133331 214.5
[M+Na-2H]- 365.094146 177.9
[M]+ 344.11893142 179.4
[M]- 344.12002858 179.4
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.