CID 386877

Nsc679735

Structural Information

Molecular Formula
C34H46O2
SMILES
CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C2=CC=C(C=C2)C3=CC(=C(C(=C3)C(C)(C)C)O)C(C)(C)C
InChI
InChI=1S/C34H46O2/c1-31(2,3)25-17-23(18-26(29(25)35)32(4,5)6)21-13-15-22(16-14-21)24-19-27(33(7,8)9)30(36)28(20-24)34(10,11)12/h13-20,35-36H,1-12H3
InChIKey
VBADAZYLOHVWTQ-UHFFFAOYSA-N
Compound name
2,6-ditert-butyl-4-[4-(3,5-ditert-butyl-4-hydroxyphenyl)phenyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

486.3498 Da
Monoisotopic Mass

11.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 487.35708 222.0
[M+Na]+ 509.33902 227.8
[M-H]- 485.34252 229.5
[M+NH4]+ 504.38362 229.6
[M+K]+ 525.31296 222.8
[M+H-H2O]+ 469.34706 214.1
[M+HCOO]- 531.34800 231.7
[M+CH3COO]- 545.36365 244.3
[M+Na-2H]- 507.32447 221.4
[M]+ 486.34925 224.9
[M]- 486.35035 224.9
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