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 200.2
[M+Na]+ 418.17776 207.8
[M-H]- 394.18126 210.5
[M+NH4]+ 413.22236 211.1
[M+K]+ 434.15170 202.4
[M+H-H2O]+ 378.18580 190.8
[M+HCOO]- 440.18674 218.1
[M+CH3COO]- 454.20239 210.1
[M+Na-2H]- 416.16321 201.6
[M]+ 395.18799 203.7
[M]- 395.18909 203.7
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.