CID 172643732

Bha-cortho-c'para-6ppd

Structural Information

Molecular Formula
C29H38N2O2
SMILES
CC(C)CC(C)NC1=CC=C(C=C1)NC2=CC=C(C=C2)C3=C(C(=CC(=C3)OC)C(C)(C)C)O
InChI
InChI=1S/C29H38N2O2/c1-19(2)16-20(3)30-22-12-14-24(15-13-22)31-23-10-8-21(9-11-23)26-17-25(33-7)18-27(28(26)32)29(4,5)6/h8-15,17-20,30-32H,16H2,1-7H3
InChIKey
HJGBJGUUFRRATC-UHFFFAOYSA-N
Compound name
2-tert-butyl-4-methoxy-6-[4-[4-(4-methylpentan-2-ylamino)anilino]phenyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

446.29333 Da
Monoisotopic Mass

8.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 447.30061 218.6
[M+Na]+ 469.28255 231.1
[M+NH4]+ 464.32715 224.9
[M+K]+ 485.25649 223.2
[M-H]- 445.28605 225.3
[M+Na-2H]- 467.26800 226.3
[M]+ 446.29278 222.4
[M]- 446.29388 222.4
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.