CID 506886

40899-92-1

Structural Information

Molecular Formula
C17H15NO4S
SMILES
CCOC(=O)C1=CC2=CC=CC=C2N1S(=O)(=O)C3=CC=CC=C3
InChI
InChI=1S/C17H15NO4S/c1-2-22-17(19)16-12-13-8-6-7-11-15(13)18(16)23(20,21)14-9-4-3-5-10-14/h3-12H,2H2,1H3
InChIKey
GOOXLJLBPRDYSB-UHFFFAOYSA-N
Compound name
ethyl 1-(benzenesulfonyl)indole-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

52
Patents

329.07217 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.07945 175.7
[M+Na]+ 352.06139 185.9
[M-H]- 328.06489 183.1
[M+NH4]+ 347.10599 191.7
[M+K]+ 368.03533 181.5
[M+H-H2O]+ 312.06943 168.6
[M+HCOO]- 374.07037 193.6
[M+CH3COO]- 388.08602 203.3
[M+Na-2H]- 350.04684 179.3
[M]+ 329.07162 182.9
[M]- 329.07272 182.9
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.