CID 118326

36437-36-2

Structural Information

Molecular Formula
C31H41NO3
SMILES
CCCC(NC(=O)C1=C(C2=CC=CC=C2C=C1)O)OC3=C(C=C(C=C3)C(C)(C)CC)C(C)(C)CC
InChI
InChI=1S/C31H41NO3/c1-8-13-27(32-29(34)24-18-16-21-14-11-12-15-23(21)28(24)33)35-26-19-17-22(30(4,5)9-2)20-25(26)31(6,7)10-3/h11-12,14-20,27,33H,8-10,13H2,1-7H3,(H,32,34)
InChIKey
YXKKRVMSBXTGPM-UHFFFAOYSA-N
Compound name
N-[1-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl]-1-hydroxynaphthalene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

475.30865 Da
Monoisotopic Mass

10.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 476.31593 223.7
[M+Na]+ 498.29787 234.8
[M+NH4]+ 493.34247 229.2
[M+K]+ 514.27181 227.8
[M-H]- 474.30137 227.0
[M+Na-2H]- 496.28332 228.5
[M]+ 475.30810 226.4
[M]- 475.30920 226.4
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