CID 50115

Brn 0447913

Structural Information

Molecular Formula
C17H27N3O4S
SMILES
CCN1CCCC1CNC(=O)C2=C(C=C(C(=C2)NS(=O)(=O)C)C)OC
InChI
InChI=1S/C17H27N3O4S/c1-5-20-8-6-7-13(20)11-18-17(21)14-10-15(19-25(4,22)23)12(2)9-16(14)24-3/h9-10,13,19H,5-8,11H2,1-4H3,(H,18,21)
InChIKey
YTRPYXNQCLTHGY-UHFFFAOYSA-N
Compound name
N-[(1-ethylpyrrolidin-2-yl)methyl]-5-(methanesulfonamido)-2-methoxy-4-methylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

8
Patents

369.17224 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.17952 187.8
[M+Na]+ 392.16146 194.5
[M+NH4]+ 387.20606 192.2
[M+K]+ 408.13540 190.7
[M-H]- 368.16496 188.7
[M+Na-2H]- 390.14691 190.0
[M]+ 369.17169 188.9
[M]- 369.17279 188.9
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

patents stripe