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

45
Patents

343.0645 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.07178 177.0
[M+Na]+ 366.05372 188.1
[M-H]- 342.05722 181.4
[M+NH4]+ 361.09832 194.1
[M+K]+ 382.02766 183.1
[M+H-H2O]+ 326.06176 171.9
[M+HCOO]- 388.06270 189.4
[M+CH3COO]- 402.07835 206.2
[M+Na-2H]- 364.03917 178.4
[M]+ 343.06395 188.4
[M]- 343.06505 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