CID 113087

2-naphthalenecarboxamide, n-(4-(4-(1,1-dimethylethyl)phenoxy)phenyl)-1-hydroxy-

Structural Information

Molecular Formula
C27H25NO3
SMILES
CC(C)(C)C1=CC=C(C=C1)OC2=CC=C(C=C2)NC(=O)C3=C(C4=CC=CC=C4C=C3)O
InChI
InChI=1S/C27H25NO3/c1-27(2,3)19-9-13-21(14-10-19)31-22-15-11-20(12-16-22)28-26(30)24-17-8-18-6-4-5-7-23(18)25(24)29/h4-17,29H,1-3H3,(H,28,30)
InChIKey
RDTBRBJIAPEKEI-UHFFFAOYSA-N
Compound name
N-[4-(4-tert-butylphenoxy)phenyl]-1-hydroxynaphthalene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

411.18344 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 412.19072 202.1
[M+Na]+ 434.17266 207.7
[M-H]- 410.17616 211.1
[M+NH4]+ 429.21726 212.0
[M+K]+ 450.14660 202.0
[M+H-H2O]+ 394.18070 191.9
[M+HCOO]- 456.18164 220.2
[M+CH3COO]- 470.19729 227.3
[M+Na-2H]- 432.15811 205.6
[M]+ 411.18289 202.7
[M]- 411.18399 202.7
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