CID 3458005

2,6-ditert-butyl-4-[(4-hydroxyanilino)methylidene]cyclohexa-2,5-dien-1-one

Structural Information

Molecular Formula
C21H27NO2
SMILES
CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C=NC2=CC=C(C=C2)O
InChI
InChI=1S/C21H27NO2/c1-20(2,3)17-11-14(12-18(19(17)24)21(4,5)6)13-22-15-7-9-16(23)10-8-15/h7-13,23-24H,1-6H3
InChIKey
SIOFYSQLCFRELK-UHFFFAOYSA-N
Compound name
2,6-ditert-butyl-4-[(4-hydroxyphenyl)iminomethyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.2042 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.21148 180.6
[M+Na]+ 348.19342 187.8
[M-H]- 324.19692 186.6
[M+NH4]+ 343.23802 194.8
[M+K]+ 364.16736 183.4
[M+H-H2O]+ 308.20146 173.8
[M+HCOO]- 370.20240 199.6
[M+CH3COO]- 384.21805 212.4
[M+Na-2H]- 346.17887 183.9
[M]+ 325.20365 182.2
[M]- 325.20475 182.2
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.