CID 5130172

N-alpha-(3-chloro-para-tolyl)-n4,n4-dimethyl-alpha,4-toluenediamine

Structural Information

Molecular Formula
C16H19ClN2
SMILES
CC1=C(C=C(C=C1)NCC2=CC=C(C=C2)N(C)C)Cl
InChI
InChI=1S/C16H19ClN2/c1-12-4-7-14(10-16(12)17)18-11-13-5-8-15(9-6-13)19(2)3/h4-10,18H,11H2,1-3H3
InChIKey
MNIONWVQQXZIRT-UHFFFAOYSA-N
Compound name
3-chloro-N-[[4-(dimethylamino)phenyl]methyl]-4-methylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.1237 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.13098 164.7
[M+Na]+ 297.11292 179.9
[M+NH4]+ 292.15752 174.6
[M+K]+ 313.08686 170.5
[M-H]- 273.11642 171.8
[M+Na-2H]- 295.09837 174.8
[M]+ 274.12315 169.4
[M]- 274.12425 169.4
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.