CID 153914

128995-51-7

Structural Information

Molecular Formula
C23H29NO3S
SMILES
CCCCC1=C(C2=CC=CC=C2O1)C(=O)C3=CC=C(S3)OCCN(CC)CC
InChI
InChI=1S/C23H29NO3S/c1-4-7-11-19-22(17-10-8-9-12-18(17)27-19)23(25)20-13-14-21(28-20)26-16-15-24(5-2)6-3/h8-10,12-14H,4-7,11,15-16H2,1-3H3
InChIKey
YAKRKFCZKPDKHG-UHFFFAOYSA-N
Compound name
(2-butyl-1-benzofuran-3-yl)-[5-[2-(diethylamino)ethoxy]thiophen-2-yl]methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

399.18683 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.19411 198.3
[M+Na]+ 422.17605 209.2
[M+NH4]+ 417.22065 205.9
[M+K]+ 438.14999 203.3
[M-H]- 398.17955 203.8
[M+Na-2H]- 420.16150 202.6
[M]+ 399.18628 201.9
[M]- 399.18738 201.9
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

patents stripe