CID 8468194

4-cyano-n-[3-(dimethylamino)propyl]benzene-1-sulfonamide hydrochloride

Structural Information

Molecular Formula
C12H17N3O2S
SMILES
CN(C)CCCNS(=O)(=O)C1=CC=C(C=C1)C#N
InChI
InChI=1S/C12H17N3O2S/c1-15(2)9-3-8-14-18(16,17)12-6-4-11(10-13)5-7-12/h4-7,14H,3,8-9H2,1-2H3
InChIKey
ZBPIYOQJZCVSPQ-UHFFFAOYSA-N
Compound name
4-cyano-N-[3-(dimethylamino)propyl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.10416 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.11144 159.1
[M+Na]+ 290.09338 167.8
[M+NH4]+ 285.13798 162.5
[M+K]+ 306.06732 158.2
[M-H]- 266.09688 153.6
[M+Na-2H]- 288.07883 161.7
[M]+ 267.10361 158.2
[M]- 267.10471 158.2
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.