CID 988201

303092-57-1

Structural Information

Molecular Formula
C23H23NO4S
SMILES
CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)C)NC(=O)COC3=CC=CC=C3C
InChI
InChI=1S/C23H23NO4S/c1-4-27-23(26)21-18(17-11-9-15(2)10-12-17)14-29-22(21)24-20(25)13-28-19-8-6-5-7-16(19)3/h5-12,14H,4,13H2,1-3H3,(H,24,25)
InChIKey
JSFPURNBTKXLAW-UHFFFAOYSA-N
Compound name
ethyl 2-[[2-(2-methylphenoxy)acetyl]amino]-4-(4-methylphenyl)thiophene-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

409.13477 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.14205 199.8
[M+Na]+ 432.12399 206.0
[M-H]- 408.12749 209.9
[M+NH4]+ 427.16859 212.3
[M+K]+ 448.09793 201.4
[M+H-H2O]+ 392.13203 191.1
[M+HCOO]- 454.13297 218.3
[M+CH3COO]- 468.14862 224.8
[M+Na-2H]- 430.10944 196.3
[M]+ 409.13422 206.3
[M]- 409.13532 206.3
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.