CID 24834271

Brn 5642503

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

404.1285 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.13578 193.4
[M+Na]+ 427.11772 198.8
[M-H]- 403.12122 199.8
[M+NH4]+ 422.16232 205.7
[M+K]+ 443.09166 195.3
[M+H-H2O]+ 387.12576 186.4
[M+HCOO]- 449.12670 205.5
[M+CH3COO]- 463.14235 227.9
[M+Na-2H]- 425.10317 191.1
[M]+ 404.12795 198.0
[M]- 404.12905 198.0
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.