CID 3060346

3-thiophenecarboxylic acid, 2-(benzoylamino)-4-phenyl-, 2-(dimethylamino)ethyl ester, monohydrochloride

Structural Information

Molecular Formula
C22H22N2O3S
SMILES
CN(C)CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)C3=CC=CC=C3
InChI
InChI=1S/C22H22N2O3S/c1-24(2)13-14-27-22(26)19-18(16-9-5-3-6-10-16)15-28-21(19)23-20(25)17-11-7-4-8-12-17/h3-12,15H,13-14H2,1-2H3,(H,23,25)
InChIKey
XFJXMZJJKNTNJX-UHFFFAOYSA-N
Compound name
2-(dimethylamino)ethyl 2-benzamido-4-phenylthiophene-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

394.1351 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.14238 194.0
[M+Na]+ 417.12432 204.8
[M+NH4]+ 412.16892 201.1
[M+K]+ 433.09826 197.8
[M-H]- 393.12782 200.2
[M+Na-2H]- 415.10977 202.4
[M]+ 394.13455 197.6
[M]- 394.13565 197.6
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.