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]+ 348.114306 177.2
[M+Na]+ 370.096248 182.9
[M-H]- 346.099754 181.4
[M+NH4]+ 365.140853 189.6
[M+K]+ 386.070188 177.4
[M+H-H2O]+ 330.104290 170.0
[M+HCOO]- 392.105231 187.0
[M+CH3COO]- 406.120881 211.2
[M+Na-2H]- 368.081696 178.4
[M]+ 347.10648142 177.9
[M]- 347.10757858 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.