CID 3051975

Brn 0452015

Structural Information

Molecular Formula
C17H28N4O4S
SMILES
CCN1CCCC1CNC(=O)C2=C(C=C(C(=C2)NS(=O)(=O)NC)C)OC
InChI
InChI=1S/C17H28N4O4S/c1-5-21-8-6-7-13(21)11-19-17(22)14-10-15(20-26(23,24)18-3)12(2)9-16(14)25-4/h9-10,13,18,20H,5-8,11H2,1-4H3,(H,19,22)
InChIKey
MEICRRSXDIKLAW-UHFFFAOYSA-N
Compound name
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methoxy-4-methyl-5-(methylsulfamoylamino)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5
Patents

384.18314 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.19042 189.6
[M+Na]+ 407.17236 193.8
[M-H]- 383.17586 194.7
[M+NH4]+ 402.21696 201.4
[M+K]+ 423.14630 190.5
[M+H-H2O]+ 367.18040 181.5
[M+HCOO]- 429.18134 206.0
[M+CH3COO]- 443.19699 224.8
[M+Na-2H]- 405.15781 189.0
[M]+ 384.18259 192.2
[M]- 384.18369 192.2
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

patents stripe