CID 109714

7-decanamido-4-hydroxynaphthalene-2-sulfonic acid

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
2
Annotation Hits

0
References

2
Patents

393.16098 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.168256 191.9
[M+Na]+ 416.150198 196.6
[M-H]- 392.153704 192.6
[M+NH4]+ 411.194803 203.0
[M+K]+ 432.124138 191.2
[M+H-H2O]+ 376.158240 184.7
[M+HCOO]- 438.159181 204.1
[M+CH3COO]- 452.174831 218.0
[M+Na-2H]- 414.135646 193.2
[M]+ 393.16043142 197.2
[M]- 393.16152858 197.2
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

patents stripe