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 202.1
[M+Na]+ 422.17605 209.2
[M-H]- 398.17955 212.1
[M+NH4]+ 417.22065 217.9
[M+K]+ 438.14999 206.4
[M+H-H2O]+ 382.18409 195.3
[M+HCOO]- 444.18503 221.7
[M+CH3COO]- 458.20068 227.2
[M+Na-2H]- 420.16150 199.1
[M]+ 399.18628 213.9
[M]- 399.18738 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

patents stripe