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 167.8
[M+Na]+ 290.09338 175.8
[M-H]- 266.09688 172.3
[M+NH4]+ 285.13798 183.0
[M+K]+ 306.06732 173.5
[M+H-H2O]+ 250.10142 154.1
[M+HCOO]- 312.10236 183.8
[M+CH3COO]- 326.11801 212.6
[M+Na-2H]- 288.07883 170.4
[M]+ 267.10361 166.1
[M]- 267.10471 166.1
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.