CID 3050550

Brn 1186398

Structural Information

Molecular Formula
C17H24ClN3O5S
SMILES
CC1=CC(=C(C=C1NC(=O)CN2CCOCC2)Cl)S(=O)(=O)N3CCOCC3
InChI
InChI=1S/C17H24ClN3O5S/c1-13-10-16(27(23,24)21-4-8-26-9-5-21)14(18)11-15(13)19-17(22)12-20-2-6-25-7-3-20/h10-11H,2-9,12H2,1H3,(H,19,22)
InChIKey
KMMNMTOPRKATRF-UHFFFAOYSA-N
Compound name
N-(5-chloro-2-methyl-4-morpholin-4-ylsulfonylphenyl)-2-morpholin-4-ylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

417.11252 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 418.11980 194.4
[M+Na]+ 440.10174 197.9
[M-H]- 416.10524 201.3
[M+NH4]+ 435.14634 199.5
[M+K]+ 456.07568 195.7
[M+H-H2O]+ 400.10978 185.4
[M+HCOO]- 462.11072 196.8
[M+CH3COO]- 476.12637 220.1
[M+Na-2H]- 438.08719 194.9
[M]+ 417.11197 194.2
[M]- 417.11307 194.2
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.