CID 4173422

3-amino-n,n-bis(2-ethylhexyl)benzenesulfonamide

Structural Information

Molecular Formula
C22H40N2O2S
SMILES
CCCCC(CC)CN(CC(CC)CCCC)S(=O)(=O)C1=CC=CC(=C1)N
InChI
InChI=1S/C22H40N2O2S/c1-5-9-12-19(7-3)17-24(18-20(8-4)13-10-6-2)27(25,26)22-15-11-14-21(23)16-22/h11,14-16,19-20H,5-10,12-13,17-18,23H2,1-4H3
InChIKey
VYJVIHHSUCRCLI-UHFFFAOYSA-N
Compound name
3-amino-N,N-bis(2-ethylhexyl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

396.28104 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.288316 202.1
[M+Na]+ 419.270258 203.1
[M-H]- 395.273764 204.4
[M+NH4]+ 414.314863 213.4
[M+K]+ 435.244198 199.3
[M+H-H2O]+ 379.278300 193.3
[M+HCOO]- 441.279241 215.8
[M+CH3COO]- 455.294891 232.1
[M+Na-2H]- 417.255706 197.7
[M]+ 396.28049142 207.4
[M]- 396.28158858 207.4
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

patents stripe