CID 173772

Component 3g-2

Structural Information

Molecular Formula
C28H27NO3
SMILES
CCC(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/C28H27NO3/c1-4-28(2,3)20-10-14-22(15-11-20)32-23-16-12-21(13-17-23)29-27(31)25-18-9-19-7-5-6-8-24(19)26(25)30/h5-18,30H,4H2,1-3H3,(H,29,31)
InChIKey
AKXJAFSMLGDBFW-UHFFFAOYSA-N
Compound name
1-hydroxy-N-[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]naphthalene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2
Patents

425.1991 Da
Monoisotopic Mass

7.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 426.20638 207.6
[M+Na]+ 448.18832 223.1
[M+NH4]+ 443.23292 215.1
[M+K]+ 464.16226 213.9
[M-H]- 424.19182 214.8
[M+Na-2H]- 446.17377 217.4
[M]+ 425.19855 212.1
[M]- 425.19965 212.1
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