CID 5864460

Nsc635189

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1537
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

No literature data available for this compound.

Patent stripe

patents stripe