CID 6017510

4-sulfobenzoic acid 4-(a-(n-hexadecyl-n-methylamino)veratrylidene)hydrazide

Structural Information

Molecular Formula
C33H51N3O6S
SMILES
CCCCCCCCCCCCCCCCN(C)/C(=N/NS(=O)(=O)C1=CC=C(C=C1)C(=O)O)/C2=CC(=C(C=C2)OC)OC
InChI
InChI=1S/C33H51N3O6S/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-25-36(2)32(28-21-24-30(41-3)31(26-28)42-4)34-35-43(39,40)29-22-19-27(20-23-29)33(37)38/h19-24,26,35H,5-18,25H2,1-4H3,(H,37,38)/b34-32+
InChIKey
LFEXHROGJGORGJ-NWBJSICCSA-N
Compound name
4-[[(E)-[(3,4-dimethoxyphenyl)-[hexadecyl(methyl)amino]methylidene]amino]sulfamoyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

617.34985 Da
Monoisotopic Mass

9.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 618.35713 252.8
[M+Na]+ 640.33907 257.3
[M+NH4]+ 635.38367 253.8
[M+K]+ 656.31301 249.8
[M-H]- 616.34257 254.0
[M+Na-2H]- 638.32452 254.7
[M]+ 617.34930 253.7
[M]- 617.35040 253.7
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.