CID 5681

N-(6-aminohexyl)-5-chloro-1-naphthalenesulfonamide

Structural Information

Molecular Formula
C16H21ClN2O2S
SMILES
C1=CC2=C(C=CC=C2Cl)C(=C1)S(=O)(=O)NCCCCCCN
InChI
InChI=1S/C16H21ClN2O2S/c17-15-9-5-8-14-13(15)7-6-10-16(14)22(20,21)19-12-4-2-1-3-11-18/h5-10,19H,1-4,11-12,18H2
InChIKey
IDEHCMNLNCJQST-UHFFFAOYSA-N
Compound name
N-(6-aminohexyl)-5-chloronaphthalene-1-sulfonamide
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

1272
References

941
Patents

340.10123 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.10851 176.2
[M+Na]+ 363.09045 183.5
[M-H]- 339.09395 179.7
[M+NH4]+ 358.13505 191.6
[M+K]+ 379.06439 176.5
[M+H-H2O]+ 323.09849 170.2
[M+HCOO]- 385.09943 189.1
[M+CH3COO]- 399.11508 211.7
[M+Na-2H]- 361.07590 180.3
[M]+ 340.10068 181.0
[M]- 340.10178 181.0
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