CID 3022740

93859-41-7

Structural Information

Molecular Formula
C20H28N2
SMILES
CCCC1=C(C(=CC(=C1)CC2=CC(=C(C=C2)N)C)C(C)C)N
InChI
InChI=1S/C20H28N2/c1-5-6-17-11-16(12-18(13(2)3)20(17)22)10-15-7-8-19(21)14(4)9-15/h7-9,11-13H,5-6,10,21-22H2,1-4H3
InChIKey
UUWZLRCYGVPTGG-UHFFFAOYSA-N
Compound name
4-[(4-amino-3-methylphenyl)methyl]-2-propan-2-yl-6-propylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.22525 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.23253 176.6
[M+Na]+ 319.21447 183.4
[M-H]- 295.21797 182.7
[M+NH4]+ 314.25907 191.8
[M+K]+ 335.18841 178.0
[M+H-H2O]+ 279.22251 168.7
[M+HCOO]- 341.22345 198.7
[M+CH3COO]- 355.23910 215.5
[M+Na-2H]- 317.19992 175.1
[M]+ 296.22470 175.8
[M]- 296.22580 175.8
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.