CID 109714

68189-33-3

Structural Information

Molecular Formula
C20H27NO5S
SMILES
CCCCCCCCCC(=O)NC1=CC2=CC(=CC(=C2C=C1)O)S(=O)(=O)O
InChI
InChI=1S/C20H27NO5S/c1-2-3-4-5-6-7-8-9-20(23)21-16-10-11-18-15(12-16)13-17(14-19(18)22)27(24,25)26/h10-14,22H,2-9H2,1H3,(H,21,23)(H,24,25,26)
InChIKey
XMKRRRYSJWEMTR-UHFFFAOYSA-N
Compound name
7-(decanoylamino)-4-hydroxynaphthalene-2-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

393.16098 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.16826 192.8
[M+Na]+ 416.15020 201.4
[M+NH4]+ 411.19480 197.4
[M+K]+ 432.12414 194.3
[M-H]- 392.15370 192.2
[M+Na-2H]- 414.13565 194.7
[M]+ 393.16043 194.0
[M]- 393.16153 194.0
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

patents stripe