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]+ 397.28832 202.1
[M+Na]+ 419.27026 203.1
[M-H]- 395.27376 204.4
[M+NH4]+ 414.31486 213.4
[M+K]+ 435.24420 199.3
[M+H-H2O]+ 379.27830 193.3
[M+HCOO]- 441.27924 215.8
[M+CH3COO]- 455.29489 232.1
[M+Na-2H]- 417.25571 197.7
[M]+ 396.28049 207.4
[M]- 396.28159 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