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 206.3
[M+Na]+ 448.18832 211.4
[M-H]- 424.19182 215.0
[M+NH4]+ 443.23292 215.5
[M+K]+ 464.16226 205.4
[M+H-H2O]+ 408.19636 195.8
[M+HCOO]- 470.19730 224.0
[M+CH3COO]- 484.21295 230.8
[M+Na-2H]- 446.17377 209.3
[M]+ 425.19855 207.2
[M]- 425.19965 207.2
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