CID 986299

300826-15-7

Structural Information

Molecular Formula
C19H21NO6S
SMILES
CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)C2=CC=C(C=C2)OC
InChI
InChI=1S/C19H21NO6S/c1-5-25-18(22)14-11(3)15(19(23)26-6-2)27-17(14)20-16(21)12-7-9-13(24-4)10-8-12/h7-10H,5-6H2,1-4H3,(H,20,21)
InChIKey
UIJDJFNJENINPO-UHFFFAOYSA-N
Compound name
diethyl 5-[(4-methoxybenzoyl)amino]-3-methylthiophene-2,4-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

391.10895 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.11623 191.9
[M+Na]+ 414.09817 198.0
[M-H]- 390.10167 199.1
[M+NH4]+ 409.14277 205.3
[M+K]+ 430.07211 195.9
[M+H-H2O]+ 374.10621 184.4
[M+HCOO]- 436.10715 209.8
[M+CH3COO]- 450.12280 220.9
[M+Na-2H]- 412.08362 187.6
[M]+ 391.10840 201.1
[M]- 391.10950 201.1
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.