CID 3060337

Brn 5123418

Structural Information

Molecular Formula
C18H22N2O3S
SMILES
CC1=C(SC(=C1C(=O)OCCN(C)C)NC(=O)C2=CC=CC=C2)C
InChI
InChI=1S/C18H22N2O3S/c1-12-13(2)24-17(15(12)18(22)23-11-10-20(3)4)19-16(21)14-8-6-5-7-9-14/h5-9H,10-11H2,1-4H3,(H,19,21)
InChIKey
SKMPOFHMRPBYFQ-UHFFFAOYSA-N
Compound name
2-(dimethylamino)ethyl 2-benzamido-4,5-dimethylthiophene-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

346.1351 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.14238 183.5
[M+Na]+ 369.12432 192.4
[M+NH4]+ 364.16892 190.0
[M+K]+ 385.09826 187.0
[M-H]- 345.12782 187.0
[M+Na-2H]- 367.10977 188.3
[M]+ 346.13455 185.9
[M]- 346.13565 185.9
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

No patent data available for this compound.