CID 1010185

443896-83-1

Structural Information

Molecular Formula
C23H23NO4S
SMILES
CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)COC3=CC=CC4=CC=CC=C43
InChI
InChI=1S/C23H23NO4S/c1-2-27-23(26)21-17-11-5-6-13-19(17)29-22(21)24-20(25)14-28-18-12-7-9-15-8-3-4-10-16(15)18/h3-4,7-10,12H,2,5-6,11,13-14H2,1H3,(H,24,25)
InChIKey
MJTZFJIROHPEGJ-UHFFFAOYSA-N
Compound name
ethyl 2-[(2-naphthalen-1-yloxyacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

409.13477 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.14205 194.3
[M+Na]+ 432.12399 206.0
[M+NH4]+ 427.16859 202.3
[M+K]+ 448.09793 198.2
[M-H]- 408.12749 198.9
[M+Na-2H]- 430.10944 199.9
[M]+ 409.13422 197.7
[M]- 409.13532 197.7
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

No patent data available for this compound.