CID 2366620

568555-78-2

Structural Information

Molecular Formula
C18H21ClN2O4S
SMILES
CC1=CC(=C(N1C2=CC(=CC=C2)S(=O)(=O)N3CCOCC3)C)C(=O)CCl
InChI
InChI=1S/C18H21ClN2O4S/c1-13-10-17(18(22)12-19)14(2)21(13)15-4-3-5-16(11-15)26(23,24)20-6-8-25-9-7-20/h3-5,10-11H,6-9,12H2,1-2H3
InChIKey
AQGQGXJINFPOMP-UHFFFAOYSA-N
Compound name
2-chloro-1-[2,5-dimethyl-1-(3-morpholin-4-ylsulfonylphenyl)pyrrol-3-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

396.09106 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.09834 190.0
[M+Na]+ 419.08028 202.3
[M+NH4]+ 414.12488 195.9
[M+K]+ 435.05422 196.7
[M-H]- 395.08378 193.8
[M+Na-2H]- 417.06573 194.9
[M]+ 396.09051 193.4
[M]- 396.09161 193.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.