CID 5744082

Brn 5632493

Structural Information

Molecular Formula
C18H29N3O4S
SMILES
CCN1CCCC1CNC(=O)C2=C(C=C(C(=C2)N(C)S(=O)(=O)C)C)OC
InChI
InChI=1S/C18H29N3O4S/c1-6-21-9-7-8-14(21)12-19-18(22)15-11-16(20(3)26(5,23)24)13(2)10-17(15)25-4/h10-11,14H,6-9,12H2,1-5H3,(H,19,22)
InChIKey
OKHQBTWRWFIGSQ-UHFFFAOYSA-N
Compound name
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methoxy-4-methyl-5-[methyl(methylsulfonyl)amino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

383.18787 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.19515 191.1
[M+Na]+ 406.17709 196.1
[M-H]- 382.18059 197.7
[M+NH4]+ 401.22169 204.1
[M+K]+ 422.15103 193.9
[M+H-H2O]+ 366.18513 183.4
[M+HCOO]- 428.18607 206.8
[M+CH3COO]- 442.20172 225.5
[M+Na-2H]- 404.16254 188.5
[M]+ 383.18732 196.2
[M]- 383.18842 196.2
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.