CID 104316

52762-70-6

Structural Information

Molecular Formula
C30H37NO3
SMILES
CC(C)(C)C1=CC(=C(C=C1)OCCCCNC(=O)C2=C(C3=CC=CC=C3C=C2)O)C4CCCC4
InChI
InChI=1S/C30H37NO3/c1-30(2,3)23-15-17-27(26(20-23)21-10-4-5-11-21)34-19-9-8-18-31-29(33)25-16-14-22-12-6-7-13-24(22)28(25)32/h6-7,12-17,20-21,32H,4-5,8-11,18-19H2,1-3H3,(H,31,33)
InChIKey
RYEGPDWPWAYFCQ-UHFFFAOYSA-N
Compound name
N-[4-(4-tert-butyl-2-cyclopentylphenoxy)butyl]-1-hydroxynaphthalene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

459.27734 Da
Monoisotopic Mass

8.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 460.28462 217.4
[M+Na]+ 482.26656 219.6
[M-H]- 458.27006 225.3
[M+NH4]+ 477.31116 227.3
[M+K]+ 498.24050 213.5
[M+H-H2O]+ 442.27460 208.1
[M+HCOO]- 504.27554 232.7
[M+CH3COO]- 518.29119 236.3
[M+Na-2H]- 480.25201 215.0
[M]+ 459.27679 217.1
[M]- 459.27789 217.1
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