CID 3021725

Brn 5638031

Structural Information

Molecular Formula
C16H25ClN4O4S
SMILES
CCN1CCCC1CNC(=O)C2=CC(=C(C=C2OC)Cl)NS(=O)(=O)NC
InChI
InChI=1S/C16H25ClN4O4S/c1-4-21-7-5-6-11(21)10-19-16(22)12-8-14(20-26(23,24)18-2)13(17)9-15(12)25-3/h8-9,11,18,20H,4-7,10H2,1-3H3,(H,19,22)
InChIKey
CKDUSCMRQBOGHY-UHFFFAOYSA-N
Compound name
4-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methoxy-5-(methylsulfamoylamino)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

404.1285 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.13578 193.0
[M+Na]+ 427.11772 198.3
[M-H]- 403.12122 198.4
[M+NH4]+ 422.16232 205.0
[M+K]+ 443.09166 193.6
[M+H-H2O]+ 387.12576 186.0
[M+HCOO]- 449.12670 205.3
[M+CH3COO]- 463.14235 225.3
[M+Na-2H]- 425.10317 192.3
[M]+ 404.12795 197.3
[M]- 404.12905 197.3
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

No patent data available for this compound.