CID 3781296

3-amino-n,n-diethyl-4-(ethylamino)benzene-1-sulfonamide

Structural Information

Molecular Formula
C12H21N3O2S
SMILES
CCNC1=C(C=C(C=C1)S(=O)(=O)N(CC)CC)N
InChI
InChI=1S/C12H21N3O2S/c1-4-14-12-8-7-10(9-11(12)13)18(16,17)15(5-2)6-3/h7-9,14H,4-6,13H2,1-3H3
InChIKey
IDDMVWHKXNLQMC-UHFFFAOYSA-N
Compound name
3-amino-N,N-diethyl-4-(ethylamino)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.13544 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.14272 161.3
[M+Na]+ 294.12466 167.4
[M-H]- 270.12816 165.7
[M+NH4]+ 289.16926 177.8
[M+K]+ 310.09860 164.6
[M+H-H2O]+ 254.13270 153.9
[M+HCOO]- 316.13364 181.3
[M+CH3COO]- 330.14929 207.0
[M+Na-2H]- 292.11011 163.7
[M]+ 271.13489 163.9
[M]- 271.13599 163.9
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.