CID 6448451

Brn 4821009

Structural Information

Molecular Formula
C25H30O2
SMILES
CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)/C=C\2/CCC3=CC=CC=C3C2=O
InChI
InChI=1S/C25H30O2/c1-24(2,3)20-14-16(15-21(23(20)27)25(4,5)6)13-18-12-11-17-9-7-8-10-19(17)22(18)26/h7-10,13-15,27H,11-12H2,1-6H3/b18-13-
InChIKey
XAFGUEAYEMEVBG-AQTBWJFISA-N
Compound name
(2Z)-2-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-3,4-dihydronaphthalen-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

362.22458 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.23186 190.8
[M+Na]+ 385.21380 197.5
[M-H]- 361.21730 196.8
[M+NH4]+ 380.25840 204.5
[M+K]+ 401.18774 191.5
[M+H-H2O]+ 345.22184 183.7
[M+HCOO]- 407.22278 204.3
[M+CH3COO]- 421.23843 218.2
[M+Na-2H]- 383.19925 192.2
[M]+ 362.22403 189.9
[M]- 362.22513 189.9
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