CID 85069

Einecs 239-816-9

Structural Information

Molecular Formula
C28H43N
SMILES
CC(C)(C)CC(C)(C)C1=CC=C(C=C1)NC2=CC=C(C=C2)C(C)(C)CC(C)(C)C
InChI
InChI=1S/C28H43N/c1-25(2,3)19-27(7,8)21-11-15-23(16-12-21)29-24-17-13-22(14-18-24)28(9,10)20-26(4,5)6/h11-18,29H,19-20H2,1-10H3
InChIKey
GQBHYWDCHSZDQU-UHFFFAOYSA-N
Compound name
4-(2,4,4-trimethylpentan-2-yl)-N-[4-(2,4,4-trimethylpentan-2-yl)phenyl]aniline
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

5467
Patents

393.33954 Da
Monoisotopic Mass

10.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.34682 201.8
[M+Na]+ 416.32876 205.2
[M-H]- 392.33226 207.5
[M+NH4]+ 411.37336 213.5
[M+K]+ 432.30270 200.6
[M+H-H2O]+ 376.33680 194.4
[M+HCOO]- 438.33774 216.0
[M+CH3COO]- 452.35339 231.7
[M+Na-2H]- 414.31421 205.5
[M]+ 393.33899 203.8
[M]- 393.34009 203.8
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.