CID 50114

Brn 0449829

Structural Information

Molecular Formula
C17H28N4O4S
SMILES
CCN1CCCC1CNC(=O)C2=C(C=CC(=C2)NS(=O)(=O)N(C)C)OC
InChI
InChI=1S/C17H28N4O4S/c1-5-21-10-6-7-14(21)12-18-17(22)15-11-13(8-9-16(15)25-4)19-26(23,24)20(2)3/h8-9,11,14,19H,5-7,10,12H2,1-4H3,(H,18,22)
InChIKey
WVMDEMTUGSPRLW-UHFFFAOYSA-N
Compound name
5-(dimethylsulfamoylamino)-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

6
Patents

384.18314 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.19042 189.8
[M+Na]+ 407.17236 193.4
[M-H]- 383.17586 196.0
[M+NH4]+ 402.21696 202.0
[M+K]+ 423.14630 191.4
[M+H-H2O]+ 367.18040 181.4
[M+HCOO]- 429.18134 206.8
[M+CH3COO]- 443.19699 226.6
[M+Na-2H]- 405.15781 189.2
[M]+ 384.18259 193.3
[M]- 384.18369 193.3
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