CID 89924249

Ethyl 5-chloro-1-(3-(methylsulfonyl)propyl)-1h-indole-2-carboxylate

Structural Information

Molecular Formula
C15H18ClNO4S
SMILES
CCOC(=O)C1=CC2=C(N1CCCS(=O)(=O)C)C=CC(=C2)Cl
InChI
InChI=1S/C15H18ClNO4S/c1-3-21-15(18)14-10-11-9-12(16)5-6-13(11)17(14)7-4-8-22(2,19)20/h5-6,9-10H,3-4,7-8H2,1-2H3
InChIKey
RATKLTHVLCEZBD-UHFFFAOYSA-N
Compound name
ethyl 5-chloro-1-(3-methylsulfonylpropyl)indole-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

343.0645 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.071776 177.0
[M+Na]+ 366.053718 188.1
[M-H]- 342.057224 181.4
[M+NH4]+ 361.098323 194.1
[M+K]+ 382.027658 183.1
[M+H-H2O]+ 326.061760 171.9
[M+HCOO]- 388.062701 189.4
[M+CH3COO]- 402.078351 206.2
[M+Na-2H]- 364.039166 178.4
[M]+ 343.06395142 188.4
[M]- 343.06504858 188.4
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

patents stripe