CID 56112

Brn 5624117

Structural Information

Molecular Formula
C17H27N3O4S
SMILES
CCN1CCCC1CNC(=O)C2=C(C=CC(=C2)N(C)S(=O)(=O)C)OC
InChI
InChI=1S/C17H27N3O4S/c1-5-20-10-6-7-14(20)12-18-17(21)15-11-13(8-9-16(15)24-3)19(2)25(4,22)23/h8-9,11,14H,5-7,10,12H2,1-4H3,(H,18,21)
InChIKey
VIDVXXYKIRHHEZ-UHFFFAOYSA-N
Compound name
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methoxy-5-[methyl(methylsulfonyl)amino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

369.17224 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.17952 187.1
[M+Na]+ 392.16146 191.7
[M-H]- 368.16496 193.5
[M+NH4]+ 387.20606 200.3
[M+K]+ 408.13540 189.7
[M+H-H2O]+ 352.16950 179.2
[M+HCOO]- 414.17044 203.1
[M+CH3COO]- 428.18609 221.3
[M+Na-2H]- 390.14691 185.5
[M]+ 369.17169 191.4
[M]- 369.17279 191.4
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.