CID 3046697

Benzenesulfonamide, n-(2-(diethylamino)ethyl)-2-methoxy-4-nitro-, monohydrochloride

Structural Information

Molecular Formula
C13H21N3O5S
SMILES
CCN(CC)CCNS(=O)(=O)C1=C(C=C(C=C1)[N+](=O)[O-])OC
InChI
InChI=1S/C13H21N3O5S/c1-4-15(5-2)9-8-14-22(19,20)13-7-6-11(16(17)18)10-12(13)21-3/h6-7,10,14H,4-5,8-9H2,1-3H3
InChIKey
RYDWZXCYKIPNEH-UHFFFAOYSA-N
Compound name
N-[2-(diethylamino)ethyl]-2-methoxy-4-nitrobenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

331.12018 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.12746 172.2
[M+Na]+ 354.10940 176.4
[M-H]- 330.11290 176.6
[M+NH4]+ 349.15400 185.4
[M+K]+ 370.08334 170.5
[M+H-H2O]+ 314.11744 168.7
[M+HCOO]- 376.11838 192.6
[M+CH3COO]- 390.13403 208.4
[M+Na-2H]- 352.09485 177.4
[M]+ 331.11963 176.1
[M]- 331.12073 176.1
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.