CID 3046702

Benzenesulfonamide, 5-chloro-2-methoxy-4-nitro-n-(2-(1-piperidinyl)ethyl)-, monohydrochloride

Structural Information

Molecular Formula
C14H20ClN3O5S
SMILES
COC1=C(C=C(C(=C1)[N+](=O)[O-])Cl)S(=O)(=O)NCCN2CCCCC2
InChI
InChI=1S/C14H20ClN3O5S/c1-23-13-10-12(18(19)20)11(15)9-14(13)24(21,22)16-5-8-17-6-3-2-4-7-17/h9-10,16H,2-8H2,1H3
InChIKey
KGEGISWIABUFFN-UHFFFAOYSA-N
Compound name
5-chloro-2-methoxy-4-nitro-N-(2-piperidin-1-ylethyl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

377.0812 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.08848 181.2
[M+Na]+ 400.07042 185.0
[M-H]- 376.07392 185.6
[M+NH4]+ 395.11502 191.4
[M+K]+ 416.04436 176.5
[M+H-H2O]+ 360.07846 178.3
[M+HCOO]- 422.07940 191.5
[M+CH3COO]- 436.09505 207.7
[M+Na-2H]- 398.05587 185.4
[M]+ 377.08065 181.5
[M]- 377.08175 181.5
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.