CID 3060347

Brn 5311609

Structural Information

Molecular Formula
C24H26N2O3S
SMILES
CCN(CC)CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)C3=CC=CC=C3
InChI
InChI=1S/C24H26N2O3S/c1-3-26(4-2)15-16-29-24(28)21-20(18-11-7-5-8-12-18)17-30-23(21)25-22(27)19-13-9-6-10-14-19/h5-14,17H,3-4,15-16H2,1-2H3,(H,25,27)
InChIKey
MUIXSJIHXCUDLR-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl 2-benzamido-4-phenylthiophene-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

422.1664 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.17368 202.6
[M+Na]+ 445.15562 212.9
[M+NH4]+ 440.20022 209.3
[M+K]+ 461.12956 205.5
[M-H]- 421.15912 208.8
[M+Na-2H]- 443.14107 210.5
[M]+ 422.16585 206.1
[M]- 422.16695 206.1
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.