CID 988203

Ethyl 2-(((2-methylphenoxy)acetyl)amino)-4-phenyl-3-thiophenecarboxylate

Structural Information

Molecular Formula
C22H21NO4S
SMILES
CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)COC3=CC=CC=C3C
InChI
InChI=1S/C22H21NO4S/c1-3-26-22(25)20-17(16-10-5-4-6-11-16)14-28-21(20)23-19(24)13-27-18-12-8-7-9-15(18)2/h4-12,14H,3,13H2,1-2H3,(H,23,24)
InChIKey
XUPFAJUPRLLHMG-UHFFFAOYSA-N
Compound name
ethyl 2-[[2-(2-methylphenoxy)acetyl]amino]-4-phenylthiophene-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

395.11914 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.12642 195.6
[M+Na]+ 418.10836 201.5
[M-H]- 394.11186 205.6
[M+NH4]+ 413.15296 208.4
[M+K]+ 434.08230 197.0
[M+H-H2O]+ 378.11640 186.9
[M+HCOO]- 440.11734 214.5
[M+CH3COO]- 454.13299 220.6
[M+Na-2H]- 416.09381 193.3
[M]+ 395.11859 201.3
[M]- 395.11969 201.3
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.