CID 3022742

93859-43-9

Structural Information

Molecular Formula
C20H28N2
SMILES
CC1=C(C=CC(=C1)CC2=CC(=C(C(=C2)C(C)C)N)C(C)C)N
InChI
InChI=1S/C20H28N2/c1-12(2)17-10-16(11-18(13(3)4)20(17)22)9-15-6-7-19(21)14(5)8-15/h6-8,10-13H,9,21-22H2,1-5H3
InChIKey
DTXLOWXPXZWHMR-UHFFFAOYSA-N
Compound name
4-[(4-amino-3-methylphenyl)methyl]-2,6-di(propan-2-yl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.22525 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.232526 176.7
[M+Na]+ 319.214468 183.2
[M-H]- 295.217974 182.9
[M+NH4]+ 314.259073 191.8
[M+K]+ 335.188408 178.4
[M+H-H2O]+ 279.222510 169.0
[M+HCOO]- 341.223451 197.8
[M+CH3COO]- 355.239101 216.4
[M+Na-2H]- 317.199916 174.0
[M]+ 296.22470142 175.3
[M]- 296.22579858 175.3
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.