CID 3051971

Brn 0495375

Structural Information

Molecular Formula
C16H25N3O4S
SMILES
CCN1CCCC1CNC(=O)C2=C(C=CC(=C2)NS(=O)(=O)C)OC
InChI
InChI=1S/C16H25N3O4S/c1-4-19-9-5-6-13(19)11-17-16(20)14-10-12(18-24(3,21)22)7-8-15(14)23-2/h7-8,10,13,18H,4-6,9,11H2,1-3H3,(H,17,20)
InChIKey
SCWBHWCAKIVLQO-UHFFFAOYSA-N
Compound name
N-[(1-ethylpyrrolidin-2-yl)methyl]-5-(methanesulfonamido)-2-methoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

8
Patents

355.1566 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.16388 182.7
[M+Na]+ 378.14582 187.6
[M-H]- 354.14932 187.8
[M+NH4]+ 373.19042 195.9
[M+K]+ 394.11976 184.4
[M+H-H2O]+ 338.15386 175.0
[M+HCOO]- 400.15480 198.6
[M+CH3COO]- 414.17045 215.1
[M+Na-2H]- 376.13127 182.3
[M]+ 355.15605 185.4
[M]- 355.15715 185.4
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

patents stripe