CID 3046704

Benzenesulfonamide, 5-chloro-n-(3-(diethylamino)propyl)-2-methoxy-4-nitro-, monohydrochloride

Structural Information

Molecular Formula
C14H22ClN3O5S
SMILES
CCN(CC)CCCNS(=O)(=O)C1=C(C=C(C(=C1)Cl)[N+](=O)[O-])OC
InChI
InChI=1S/C14H22ClN3O5S/c1-4-17(5-2)8-6-7-16-24(21,22)14-9-11(15)12(18(19)20)10-13(14)23-3/h9-10,16H,4-8H2,1-3H3
InChIKey
KNDHPISIKGGWPH-UHFFFAOYSA-N
Compound name
5-chloro-N-[3-(diethylamino)propyl]-2-methoxy-4-nitrobenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

379.09686 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.10414 183.6
[M+Na]+ 402.08608 188.4
[M-H]- 378.08958 188.1
[M+NH4]+ 397.13068 195.9
[M+K]+ 418.06002 181.0
[M+H-H2O]+ 362.09412 181.4
[M+HCOO]- 424.09506 199.2
[M+CH3COO]- 438.11071 216.2
[M+Na-2H]- 400.07153 187.2
[M]+ 379.09631 190.3
[M]- 379.09741 190.3
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.