CID 70873

1159-53-1

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

5849
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

literature stripe

Patent stripe

patents stripe