CID 24834306

Brn 5641191

Structural Information

Molecular Formula
C17H27ClN4O4S
SMILES
CCN1CCCC1CNC(=O)C2=CC(=C(C=C2OC)Cl)NS(=O)(=O)N(C)C
InChI
InChI=1S/C17H27ClN4O4S/c1-5-22-8-6-7-12(22)11-19-17(23)13-9-15(14(18)10-16(13)26-4)20-27(24,25)21(2)3/h9-10,12,20H,5-8,11H2,1-4H3,(H,19,23)
InChIKey
QMIOLWNJJWFSOC-UHFFFAOYSA-N
Compound name
4-chloro-5-(dimethylsulfamoylamino)-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

418.14417 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.15145 197.6
[M+Na]+ 441.13339 202.5
[M-H]- 417.13689 204.2
[M+NH4]+ 436.17799 209.6
[M+K]+ 457.10733 199.0
[M+H-H2O]+ 401.14143 190.3
[M+HCOO]- 463.14237 210.0
[M+CH3COO]- 477.15802 231.3
[M+Na-2H]- 439.11884 195.8
[M]+ 418.14362 203.5
[M]- 418.14472 203.5
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