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
1
Annotation Hits

0
References

26
Patents

475.30865 Da
Monoisotopic Mass

10.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 476.31593 224.4
[M+Na]+ 498.29787 225.6
[M-H]- 474.30137 228.0
[M+NH4]+ 493.34247 231.8
[M+K]+ 514.27181 218.5
[M+H-H2O]+ 458.30591 213.3
[M+HCOO]- 520.30685 241.6
[M+CH3COO]- 534.32250 241.4
[M+Na-2H]- 496.28332 223.1
[M]+ 475.30810 229.0
[M]- 475.30920 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