CID 6091793

Nsc635191

Structural Information

Molecular Formula
C24H30O3
SMILES
CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)/C=C/C2=CC=C(C=C2)OC
InChI
InChI=1S/C24H30O3/c1-23(2,3)19-14-17(15-20(22(19)26)24(4,5)6)21(25)13-10-16-8-11-18(27-7)12-9-16/h8-15,26H,1-7H3/b13-10+
InChIKey
PFUQRCNWCBDKSE-JLHYYAGUSA-N
Compound name
(E)-1-(3,5-ditert-butyl-4-hydroxyphenyl)-3-(4-methoxyphenyl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

366.21948 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.22676 190.0
[M+Na]+ 389.20870 196.7
[M-H]- 365.21220 195.6
[M+NH4]+ 384.25330 202.6
[M+K]+ 405.18264 192.3
[M+H-H2O]+ 349.21674 183.1
[M+HCOO]- 411.21768 206.4
[M+CH3COO]- 425.23333 218.4
[M+Na-2H]- 387.19415 190.6
[M]+ 366.21893 193.5
[M]- 366.22003 193.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe