CID 4236805

3-amino-4-(diethylamino)-n,n-diethylbenzene-1-sulfonamide

Structural Information

Molecular Formula
C14H25N3O2S
SMILES
CCN(CC)C1=C(C=C(C=C1)S(=O)(=O)N(CC)CC)N
InChI
InChI=1S/C14H25N3O2S/c1-5-16(6-2)14-10-9-12(11-13(14)15)20(18,19)17(7-3)8-4/h9-11H,5-8,15H2,1-4H3
InChIKey
RINICEJHAULPNR-UHFFFAOYSA-N
Compound name
3-amino-4-(diethylamino)-N,N-diethylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.16675 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.17403 170.5
[M+Na]+ 322.15597 175.7
[M-H]- 298.15947 176.0
[M+NH4]+ 317.20057 186.4
[M+K]+ 338.12991 174.0
[M+H-H2O]+ 282.16401 162.5
[M+HCOO]- 344.16495 190.2
[M+CH3COO]- 358.18060 216.4
[M+Na-2H]- 320.14142 171.3
[M]+ 299.16620 175.0
[M]- 299.16730 175.0
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.