CID 5911186

307953-14-6

Structural Information

Molecular Formula
C27H25NO2
SMILES
CC1=CC=C(C=C1)C(=O)/C(=C/C2=CC=C(C=C2)C(C)(C)C)/C3=NC4=CC=CC=C4O3
InChI
InChI=1S/C27H25NO2/c1-18-9-13-20(14-10-18)25(29)22(26-28-23-7-5-6-8-24(23)30-26)17-19-11-15-21(16-12-19)27(2,3)4/h5-17H,1-4H3/b22-17-
InChIKey
QLOZTAADQRDWQH-XLNRJJMWSA-N
Compound name
(E)-2-(1,3-benzoxazol-2-yl)-3-(4-tert-butylphenyl)-1-(4-methylphenyl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

395.18854 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.19582 197.6
[M+Na]+ 418.17776 214.0
[M+NH4]+ 413.22236 205.2
[M+K]+ 434.15170 207.3
[M-H]- 394.18126 204.8
[M+Na-2H]- 416.16321 206.9
[M]+ 395.18799 202.3
[M]- 395.18909 202.3
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

No patent data available for this compound.