CID 614511

Bis(3,4-dimethylphenyl)amine

Structural Information

Molecular Formula
C16H19N
SMILES
CC1=C(C=C(C=C1)NC2=CC(=C(C=C2)C)C)C
InChI
InChI=1S/C16H19N/c1-11-5-7-15(9-13(11)3)17-16-8-6-12(2)14(4)10-16/h5-10,17H,1-4H3
InChIKey
IMQQPEKHINRTCE-UHFFFAOYSA-N
Compound name
N-(3,4-dimethylphenyl)-3,4-dimethylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

173
Patents

225.15175 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.15903 151.8
[M+Na]+ 248.14097 160.6
[M-H]- 224.14447 159.3
[M+NH4]+ 243.18557 170.6
[M+K]+ 264.11491 156.3
[M+H-H2O]+ 208.14901 144.8
[M+HCOO]- 270.14995 176.6
[M+CH3COO]- 284.16560 197.5
[M+Na-2H]- 246.12642 156.4
[M]+ 225.15120 152.5
[M]- 225.15230 152.5
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