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

1
Patents

421.1314 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 422.13868 201.4
[M+Na]+ 444.12062 209.5
[M-H]- 420.12412 213.7
[M+NH4]+ 439.16522 209.6
[M+K]+ 460.09456 204.1
[M+H-H2O]+ 404.12866 190.3
[M+HCOO]- 466.12960 221.3
[M+CH3COO]- 480.14525 211.1
[M+Na-2H]- 442.10607 204.0
[M]+ 421.13085 205.1
[M]- 421.13195 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