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 215.6
[M+Na]+ 469.28255 218.7
[M-H]- 445.28605 223.4
[M+NH4]+ 464.32715 223.5
[M+K]+ 485.25649 213.7
[M+H-H2O]+ 429.29059 205.5
[M+HCOO]- 491.29153 233.2
[M+CH3COO]- 505.30718 241.8
[M+Na-2H]- 467.26800 213.6
[M]+ 446.29278 216.9
[M]- 446.29388 216.9
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

No patent data available for this compound.