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 186.9
[M+Na]+ 384.12399 193.6
[M-H]- 360.12749 194.0
[M+NH4]+ 379.16859 202.0
[M+K]+ 400.09793 190.1
[M+H-H2O]+ 344.13203 179.5
[M+HCOO]- 406.13297 205.3
[M+CH3COO]- 420.14862 217.0
[M+Na-2H]- 382.10944 183.0
[M]+ 361.13422 194.6
[M]- 361.13532 194.6
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.