CID 3589480

Ethyl (4,5-dimethyl-2-(((2-methylphenoxy)acetyl)amino)-3-thienyl)acetate

Structural Information

Molecular Formula
C19H23NO4S
SMILES
CCOC(=O)CC1=C(SC(=C1C)C)NC(=O)COC2=CC=CC=C2C
InChI
InChI=1S/C19H23NO4S/c1-5-23-18(22)10-15-13(3)14(4)25-19(15)20-17(21)11-24-16-9-7-6-8-12(16)2/h6-9H,5,10-11H2,1-4H3,(H,20,21)
InChIKey
LXNWOYXDNDHSJL-UHFFFAOYSA-N
Compound name
ethyl 2-[4,5-dimethyl-2-[[2-(2-methylphenoxy)acetyl]amino]thiophen-3-yl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

361.13477 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.14205 187.6
[M+Na]+ 384.12399 197.4
[M+NH4]+ 379.16859 193.7
[M+K]+ 400.09793 191.5
[M-H]- 360.12749 190.1
[M+Na-2H]- 382.10944 191.5
[M]+ 361.13422 189.9
[M]- 361.13532 189.9
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.