CID 275976

22158-00-5

Structural Information

Molecular Formula
C23H31NO4
SMILES
CCCCCCCCCCCCC(=O)NC1=C(C2=CC=CC=C2C(=O)C1=O)O
InChI
InChI=1S/C23H31NO4/c1-2-3-4-5-6-7-8-9-10-11-16-19(25)24-20-21(26)17-14-12-13-15-18(17)22(27)23(20)28/h12-15,26H,2-11,16H2,1H3,(H,24,25)
InChIKey
LIMHNJZGZHZCQG-UHFFFAOYSA-N
Compound name
N-(1-hydroxy-3,4-dioxonaphthalen-2-yl)tridecanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

385.2253 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.23258 195.6
[M+Na]+ 408.21452 199.8
[M-H]- 384.21802 197.3
[M+NH4]+ 403.25912 207.5
[M+K]+ 424.18846 194.4
[M+H-H2O]+ 368.22256 187.5
[M+HCOO]- 430.22350 213.5
[M+CH3COO]- 444.23915 224.6
[M+Na-2H]- 406.19997 194.7
[M]+ 385.22475 199.6
[M]- 385.22585 199.6
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.