CID 458684

Bis(4-tert-butylphenyl)amine

Structural Information

Molecular Formula
C20H27N
SMILES
CC(C)(C)C1=CC=C(C=C1)NC2=CC=C(C=C2)C(C)(C)C
InChI
InChI=1S/C20H27N/c1-19(2,3)15-7-11-17(12-8-15)21-18-13-9-16(10-14-18)20(4,5)6/h7-14,21H,1-6H3
InChIKey
OPEKHRGERHDLRK-UHFFFAOYSA-N
Compound name
4-tert-butyl-N-(4-tert-butylphenyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1959
Patents

281.21436 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.221636 170.2
[M+Na]+ 304.203578 176.4
[M-H]- 280.207084 177.0
[M+NH4]+ 299.248183 186.5
[M+K]+ 320.177518 172.1
[M+H-H2O]+ 264.211620 163.2
[M+HCOO]- 326.212561 190.5
[M+CH3COO]- 340.228211 206.8
[M+Na-2H]- 302.189026 175.6
[M]+ 281.21381142 170.5
[M]- 281.21490858 170.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe