CID 170164

Einecs 254-328-6

Structural Information

Molecular Formula
C31H41NO3
SMILES
CCCCCCCCCCCCCCOC1=CC=CC=C1NC(=O)C2=C(C3=CC=CC=C3C=C2)O
InChI
InChI=1S/C31H41NO3/c1-2-3-4-5-6-7-8-9-10-11-12-17-24-35-29-21-16-15-20-28(29)32-31(34)27-23-22-25-18-13-14-19-26(25)30(27)33/h13-16,18-23,33H,2-12,17,24H2,1H3,(H,32,34)
InChIKey
PDNBNYWQDIQNLS-UHFFFAOYSA-N
Compound name
1-hydroxy-N-(2-tetradecoxyphenyl)naphthalene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

31
Patents

475.30865 Da
Monoisotopic Mass

10.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 476.315926 224.4
[M+Na]+ 498.297868 225.6
[M-H]- 474.301374 228.0
[M+NH4]+ 493.342473 231.8
[M+K]+ 514.271808 218.5
[M+H-H2O]+ 458.305910 213.3
[M+HCOO]- 520.306851 241.6
[M+CH3COO]- 534.322501 241.4
[M+Na-2H]- 496.283316 223.1
[M]+ 475.30810142 229.0
[M]- 475.30919858 229.0
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