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 204.9
[M+Na]+ 445.15562 208.4
[M-H]- 421.15912 215.4
[M+NH4]+ 440.20022 216.6
[M+K]+ 461.12956 204.2
[M+H-H2O]+ 405.16366 195.3
[M+HCOO]- 467.16460 224.4
[M+CH3COO]- 481.18025 231.3
[M+Na-2H]- 443.14107 202.3
[M]+ 422.16585 210.0
[M]- 422.16695 210.0
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.