CID 208542

Benzenesulfonamide, p-chloro-n-(2-diethylaminoethyl)-

Structural Information

Molecular Formula
C12H19ClN2O2S
SMILES
CCN(CC)CCNS(=O)(=O)C1=CC=C(C=C1)Cl
InChI
InChI=1S/C12H19ClN2O2S/c1-3-15(4-2)10-9-14-18(16,17)12-7-5-11(13)6-8-12/h5-8,14H,3-4,9-10H2,1-2H3
InChIKey
KVQQWVRVJDYYMC-UHFFFAOYSA-N
Compound name
4-chloro-N-[2-(diethylamino)ethyl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

290.08557 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.09285 164.2
[M+Na]+ 313.07479 171.0
[M-H]- 289.07829 169.1
[M+NH4]+ 308.11939 181.3
[M+K]+ 329.04873 166.8
[M+H-H2O]+ 273.08283 158.1
[M+HCOO]- 335.08377 179.5
[M+CH3COO]- 349.09942 204.9
[M+Na-2H]- 311.06024 167.4
[M]+ 290.08502 170.3
[M]- 290.08612 170.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe