CID 3146540

N-(tetrahydro-2-furanylmethyl)-2-[(3,4,5-trimethoxybenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Structural Information

Molecular Formula
C24H30N2O6S
SMILES
COC1=CC(=CC(=C1OC)OC)C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)NCC4CCCO4
InChI
InChI=1S/C24H30N2O6S/c1-29-17-11-14(12-18(30-2)21(17)31-3)22(27)26-24-20(16-8-4-5-9-19(16)33-24)23(28)25-13-15-7-6-10-32-15/h11-12,15H,4-10,13H2,1-3H3,(H,25,28)(H,26,27)
InChIKey
MDGSRRZINJQMRU-UHFFFAOYSA-N
Compound name
N-(oxolan-2-ylmethyl)-2-[(3,4,5-trimethoxybenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

474.18246 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 475.18974 211.5
[M+Na]+ 497.17168 217.8
[M+NH4]+ 492.21628 216.9
[M+K]+ 513.14562 215.4
[M-H]- 473.17518 216.8
[M+Na-2H]- 495.15713 213.3
[M]+ 474.18191 213.9
[M]- 474.18301 213.9
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.