CID 360956

Nsc623684

Structural Information

Molecular Formula
C17H17NO5S
SMILES
CCOC(=O)C1=C2C=CC=CN2C3=C1SC(C3=O)(C)C(=O)OCC
InChI
InChI=1S/C17H17NO5S/c1-4-22-15(20)11-10-8-6-7-9-18(10)12-13(11)24-17(3,14(12)19)16(21)23-5-2/h6-9H,4-5H2,1-3H3
InChIKey
UCZRZUBAICSJOS-UHFFFAOYSA-N
Compound name
diethyl 2-methyl-1-oxothieno[2,3-b]indolizine-2,4-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

347.08273 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.09001 179.5
[M+Na]+ 370.07195 190.3
[M-H]- 346.07545 184.9
[M+NH4]+ 365.11655 200.2
[M+K]+ 386.04589 187.5
[M+H-H2O]+ 330.07999 175.4
[M+HCOO]- 392.08093 195.8
[M+CH3COO]- 406.09658 209.3
[M+Na-2H]- 368.05740 179.4
[M]+ 347.08218 190.4
[M]- 347.08328 190.4
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.