CID 512378

N-[4-[2-[cyclohexyl(methyl)amino]ethyl-methyl-amino]butyl]naphthalene-2-sulfonamide

Structural Information

Molecular Formula
C24H37N3O2S
SMILES
CN(CCCCNS(=O)(=O)C1=CC2=CC=CC=C2C=C1)CCN(C)C3CCCCC3
InChI
InChI=1S/C24H37N3O2S/c1-26(18-19-27(2)23-12-4-3-5-13-23)17-9-8-16-25-30(28,29)24-15-14-21-10-6-7-11-22(21)20-24/h6-7,10-11,14-15,20,23,25H,3-5,8-9,12-13,16-19H2,1-2H3
InChIKey
AXQZVHPCJDMHIK-UHFFFAOYSA-N
Compound name
N-[4-[2-[cyclohexyl(methyl)amino]ethyl-methylamino]butyl]naphthalene-2-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

431.26065 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 432.26793 202.4
[M+Na]+ 454.24987 201.9
[M-H]- 430.25337 209.2
[M+NH4]+ 449.29447 212.9
[M+K]+ 470.22381 198.3
[M+H-H2O]+ 414.25791 192.3
[M+HCOO]- 476.25885 216.7
[M+CH3COO]- 490.27450 239.7
[M+Na-2H]- 452.23532 204.4
[M]+ 431.26010 203.2
[M]- 431.26120 203.2
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.