CID 3050552

Brn 2783688

Structural Information

Molecular Formula
C17H28ClN3O3S
SMILES
CCN(CC)CC(=O)NC1=CC(=C(C=C1C)S(=O)(=O)N(CC)CC)Cl
InChI
InChI=1S/C17H28ClN3O3S/c1-6-20(7-2)12-17(22)19-15-11-14(18)16(10-13(15)5)25(23,24)21(8-3)9-4/h10-11H,6-9,12H2,1-5H3,(H,19,22)
InChIKey
BPIBGFMFNQWEQI-UHFFFAOYSA-N
Compound name
N-[5-chloro-4-(diethylsulfamoyl)-2-methylphenyl]-2-(diethylamino)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

389.154 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.16128 191.8
[M+Na]+ 412.14322 197.1
[M-H]- 388.14672 197.8
[M+NH4]+ 407.18782 205.4
[M+K]+ 428.11716 193.9
[M+H-H2O]+ 372.15126 184.7
[M+HCOO]- 434.15220 206.2
[M+CH3COO]- 448.16785 232.0
[M+Na-2H]- 410.12867 190.5
[M]+ 389.15345 201.0
[M]- 389.15455 201.0
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.