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
2
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 164.6
[M+Na]+ 297.11292 172.4
[M-H]- 273.11642 172.6
[M+NH4]+ 292.15752 182.1
[M+K]+ 313.08686 167.4
[M+H-H2O]+ 257.12096 157.2
[M+HCOO]- 319.12190 186.2
[M+CH3COO]- 333.13755 208.3
[M+Na-2H]- 295.09837 168.7
[M]+ 274.12315 167.6
[M]- 274.12425 167.6
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.