CID 4314

N-(6-aminohexyl)-1-naphthalenesulfonamide hydrochloride

Structural Information

Molecular Formula
C16H22N2O2S
SMILES
C1=CC=C2C(=C1)C=CC=C2S(=O)(=O)NCCCCCCN
InChI
InChI=1S/C16H22N2O2S/c17-12-5-1-2-6-13-18-21(19,20)16-11-7-9-14-8-3-4-10-15(14)16/h3-4,7-11,18H,1-2,5-6,12-13,17H2
InChIKey
FVJRBJIENDRNBE-UHFFFAOYSA-N
Compound name
N-(6-aminohexyl)naphthalene-1-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

128
References

116
Patents

306.1402 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.14748 169.1
[M+Na]+ 329.12942 174.9
[M-H]- 305.13292 172.2
[M+NH4]+ 324.17402 184.6
[M+K]+ 345.10336 169.3
[M+H-H2O]+ 289.13746 161.8
[M+HCOO]- 351.13840 186.5
[M+CH3COO]- 365.15405 206.9
[M+Na-2H]- 327.11487 174.3
[M]+ 306.13965 171.3
[M]- 306.14075 171.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe