CID 104375

Methanone, [4-[[4-(2-benzoxazolyl)phenyl]methoxy]-2-hydroxyphenyl]phenyl-

Structural Information

Molecular Formula
C27H19NO4
SMILES
C1=CC=C(C=C1)C(=O)C2=C(C=C(C=C2)OCC3=CC=C(C=C3)C4=NC5=CC=CC=C5O4)O
InChI
InChI=1S/C27H19NO4/c29-24-16-21(14-15-22(24)26(30)19-6-2-1-3-7-19)31-17-18-10-12-20(13-11-18)27-28-23-8-4-5-9-25(23)32-27/h1-16,29H,17H2
InChIKey
ZKDCTCNNNKEFDY-UHFFFAOYSA-N
Compound name
[4-[[4-(1,3-benzoxazol-2-yl)phenyl]methoxy]-2-hydroxyphenyl]-phenylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

421.1314 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 422.138676 201.4
[M+Na]+ 444.120618 209.5
[M-H]- 420.124124 213.7
[M+NH4]+ 439.165223 209.6
[M+K]+ 460.094558 204.1
[M+H-H2O]+ 404.128660 190.3
[M+HCOO]- 466.129601 221.3
[M+CH3COO]- 480.145251 211.1
[M+Na-2H]- 442.106066 204.0
[M]+ 421.13085142 205.1
[M]- 421.13194858 205.1
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