CID 3051972

Brn 0454281

Structural Information

Molecular Formula
C18H30N4O4S
SMILES
CCN1CCCC1CNC(=O)C2=C(C=C(C(=C2)NS(=O)(=O)N(C)C)C)OC
InChI
InChI=1S/C18H30N4O4S/c1-6-22-9-7-8-14(22)12-19-18(23)15-11-16(13(2)10-17(15)26-5)20-27(24,25)21(3)4/h10-11,14,20H,6-9,12H2,1-5H3,(H,19,23)
InChIKey
GJPQDUZAQIKKLP-UHFFFAOYSA-N
Compound name
5-(dimethylsulfamoylamino)-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methoxy-4-methylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

7
Patents

398.1988 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.20608 194.4
[M+Na]+ 421.18802 199.8
[M+NH4]+ 416.23262 198.4
[M+K]+ 437.16196 196.8
[M-H]- 397.19152 195.8
[M+Na-2H]- 419.17347 196.6
[M]+ 398.19825 195.4
[M]- 398.19935 195.4
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