CID 56115

Brn 5644116

Structural Information

Molecular Formula
C18H29ClN4O4S
SMILES
CCN1CCCC1CNC(=O)C2=CC(=C(C=C2OC)Cl)NCS(=O)(=O)N(C)C
InChI
InChI=1S/C18H29ClN4O4S/c1-5-23-8-6-7-13(23)11-20-18(24)14-9-16(15(19)10-17(14)27-4)21-12-28(25,26)22(2)3/h9-10,13,21H,5-8,11-12H2,1-4H3,(H,20,24)
InChIKey
FIUVFYJMHJOABJ-UHFFFAOYSA-N
Compound name
4-chloro-5-(dimethylsulfamoylmethylamino)-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

432.1598 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.16708 201.8
[M+Na]+ 455.14902 206.3
[M-H]- 431.15252 208.3
[M+NH4]+ 450.19362 213.2
[M+K]+ 471.12296 202.6
[M+H-H2O]+ 415.15706 194.3
[M+HCOO]- 477.15800 213.9
[M+CH3COO]- 491.17365 234.2
[M+Na-2H]- 453.13447 199.6
[M]+ 432.15925 208.1
[M]- 432.16035 208.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.