CID 1010185

Et 2-(((1-naphthyloxy)ac)amino)4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

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 195.9
[M+Na]+ 432.12399 201.5
[M-H]- 408.12749 203.7
[M+NH4]+ 427.16859 210.2
[M+K]+ 448.09793 196.8
[M+H-H2O]+ 392.13203 188.2
[M+HCOO]- 454.13297 211.2
[M+CH3COO]- 468.14862 223.6
[M+Na-2H]- 430.10944 196.5
[M]+ 409.13422 200.9
[M]- 409.13532 200.9
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.