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

5929
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

literature stripe

Patent stripe

patents stripe