CID 9645060

155637-10-8

Structural Information

Molecular Formula
C32H47N3O5S2
SMILES
CCCCCCCCCCCCCCCCS(=O)(=O)N/N=C/1\C=C(N(C2=C1C(=CC=C2)S(=O)(=O)O)C)C3=CC=CC=C3
InChI
InChI=1S/C32H47N3O5S2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-19-25-41(36,37)34-33-28-26-30(27-21-17-16-18-22-27)35(2)29-23-20-24-31(32(28)29)42(38,39)40/h16-18,20-24,26,34H,3-15,19,25H2,1-2H3,(H,38,39,40)/b33-28+
InChIKey
FTNJIQJWILMFMG-PJJLUWSFSA-N
Compound name
(4E)-4-(hexadecylsulfonylhydrazinylidene)-1-methyl-2-phenylquinoline-5-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

617.2957 Da
Monoisotopic Mass

9.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 618.30298 249.0
[M+Na]+ 640.28492 250.5
[M-H]- 616.28842 251.5
[M+NH4]+ 635.32952 250.2
[M+K]+ 656.25886 241.6
[M+H-H2O]+ 600.29296 237.9
[M+HCOO]- 662.29390 255.6
[M+CH3COO]- 676.30955 263.8
[M+Na-2H]- 638.27037 250.8
[M]+ 617.29515 258.0
[M]- 617.29625 258.0
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.