CID 112544

2-naphthalenecarboxamide, 1-hydroxy-n-(2-(3-pentadecylphenoxy)butyl)-

Structural Information

Molecular Formula
C36H51NO3
SMILES
CCCCCCCCCCCCCCCC1=CC(=CC=C1)OC(CC)CNC(=O)C2=C(C3=CC=CC=C3C=C2)O
InChI
InChI=1S/C36H51NO3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-20-29-21-19-23-32(27-29)40-31(4-2)28-37-36(39)34-26-25-30-22-17-18-24-33(30)35(34)38/h17-19,21-27,31,38H,3-16,20,28H2,1-2H3,(H,37,39)
InChIKey
ZGKLOPMHAGUVBT-UHFFFAOYSA-N
Compound name
1-hydroxy-N-[2-(3-pentadecylphenoxy)butyl]naphthalene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

545.3869 Da
Monoisotopic Mass

13.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 546.39418 246.6
[M+Na]+ 568.37612 245.2
[M-H]- 544.37962 249.1
[M+NH4]+ 563.42072 250.8
[M+K]+ 584.35006 237.6
[M+H-H2O]+ 528.38416 234.7
[M+HCOO]- 590.38510 260.9
[M+CH3COO]- 604.40075 256.5
[M+Na-2H]- 566.36157 241.5
[M]+ 545.38635 252.2
[M]- 545.38745 252.2
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