CID 87363871

Schembl2273279

Structural Information

Molecular Formula
C25H36O2
SMILES
CC1(C\2CCC1(C(=O)/C2=C\C3=CC(=C(C(=C3)C(C)(C)C)O)C(C)(C)C)C)C
InChI
InChI=1S/C25H36O2/c1-22(2,3)18-13-15(14-19(20(18)26)23(4,5)6)12-16-17-10-11-25(9,21(16)27)24(17,7)8/h12-14,17,26H,10-11H2,1-9H3/b16-12-
InChIKey
AYNVFOYKBKUQQR-VBKFSLOCSA-N
Compound name
(3Z)-3-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

368.27155 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.27883 191.5
[M+Na]+ 391.26077 200.2
[M-H]- 367.26427 196.9
[M+NH4]+ 386.30537 213.9
[M+K]+ 407.23471 194.6
[M+H-H2O]+ 351.26881 189.5
[M+HCOO]- 413.26975 204.9
[M+CH3COO]- 427.28540 219.7
[M+Na-2H]- 389.24622 191.4
[M]+ 368.27100 194.1
[M]- 368.27210 194.1
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