CID 191102

43040-76-2

Structural Information

Molecular Formula
C18H24ClNO2S
SMILES
CCCCN(CCCC)C1=CC=CC2=C1C=CC=C2S(=O)(=O)Cl
InChI
InChI=1S/C18H24ClNO2S/c1-3-5-13-20(14-6-4-2)17-11-7-10-16-15(17)9-8-12-18(16)23(19,21)22/h7-12H,3-6,13-14H2,1-2H3
InChIKey
PIZHBGYIKYGXBV-UHFFFAOYSA-N
Compound name
5-(dibutylamino)naphthalene-1-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

41
Patents

353.12164 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.12892 181.7
[M+Na]+ 376.11086 189.2
[M-H]- 352.11436 187.1
[M+NH4]+ 371.15546 197.9
[M+K]+ 392.08480 183.6
[M+H-H2O]+ 336.11890 175.4
[M+HCOO]- 398.11984 194.1
[M+CH3COO]- 412.13549 216.5
[M+Na-2H]- 374.09631 184.5
[M]+ 353.12109 190.2
[M]- 353.12219 190.2
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.