CID 3046708

62564-24-3

Structural Information

Molecular Formula
C14H22ClN3O3S
SMILES
COC1=C(C=C(C(=C1)N)Cl)S(=O)(=O)NCCN2CCCCC2
InChI
InChI=1S/C14H22ClN3O3S/c1-21-13-10-12(16)11(15)9-14(13)22(19,20)17-5-8-18-6-3-2-4-7-18/h9-10,17H,2-8,16H2,1H3
InChIKey
WRBLHPKQRDCTRV-UHFFFAOYSA-N
Compound name
4-amino-5-chloro-2-methoxy-N-(2-piperidin-1-ylethyl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

347.10703 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.11431 177.2
[M+Na]+ 370.09625 182.9
[M-H]- 346.09975 181.4
[M+NH4]+ 365.14085 189.6
[M+K]+ 386.07019 177.4
[M+H-H2O]+ 330.10429 170.0
[M+HCOO]- 392.10523 187.0
[M+CH3COO]- 406.12088 211.2
[M+Na-2H]- 368.08170 178.4
[M]+ 347.10648 177.9
[M]- 347.10758 177.9
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.