CID 71731

Suplexedil

Structural Information

Molecular Formula
C28H42N2O5
SMILES
CCCCOC1=CC=C(C=C1)OCC(=O)N(CCN(CC)CC)C2=C(C=CC(=C2)OCC)OCC
InChI
InChI=1S/C28H42N2O5/c1-6-11-20-34-23-12-14-24(15-13-23)35-22-28(31)30(19-18-29(7-2)8-3)26-21-25(32-9-4)16-17-27(26)33-10-5/h12-17,21H,6-11,18-20,22H2,1-5H3
InChIKey
OBQUKWIVMOIRGG-UHFFFAOYSA-N
Compound name
2-(4-butoxyphenoxy)-N-(2,5-diethoxyphenyl)-N-[2-(diethylamino)ethyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

663
Patents

486.3094 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 487.31668 224.2
[M+Na]+ 509.29862 233.3
[M+NH4]+ 504.34322 228.4
[M+K]+ 525.27256 226.1
[M-H]- 485.30212 227.9
[M+Na-2H]- 507.28407 228.7
[M]+ 486.30885 226.3
[M]- 486.30995 226.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe