CID 70873

Tri-p-tolylamine

Structural Information

Molecular Formula
C21H21N
SMILES
CC1=CC=C(C=C1)N(C2=CC=C(C=C2)C)C3=CC=C(C=C3)C
InChI
InChI=1S/C21H21N/c1-16-4-10-19(11-5-16)22(20-12-6-17(2)7-13-20)21-14-8-18(3)9-15-21/h4-15H,1-3H3
InChIKey
YXYUIABODWXVIK-UHFFFAOYSA-N
Compound name
4-methyl-N,N-bis(4-methylphenyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

5216
Patents

287.1674 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.17468 169.5
[M+Na]+ 310.15662 176.5
[M-H]- 286.16012 180.6
[M+NH4]+ 305.20122 185.3
[M+K]+ 326.13056 171.6
[M+H-H2O]+ 270.16466 160.0
[M+HCOO]- 332.16560 194.2
[M+CH3COO]- 346.18125 181.7
[M+Na-2H]- 308.14207 173.6
[M]+ 287.16685 169.9
[M]- 287.16795 169.9
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.