CID 117974

N,n'-ditolyl-p-phenylenediamine

Structural Information

Molecular Formula
C20H20N2
SMILES
CC1=CC=C(C=C1)NC2=CC=C(C=C2)NC3=CC=CC=C3C
InChI
InChI=1S/C20H20N2/c1-15-7-9-17(10-8-15)21-18-11-13-19(14-12-18)22-20-6-4-3-5-16(20)2/h3-14,21-22H,1-2H3
InChIKey
HPGLJHGYYVLNTR-UHFFFAOYSA-N
Compound name
4-N-(2-methylphenyl)-1-N-(4-methylphenyl)benzene-1,4-diamine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

572
Patents

288.16266 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.169936 168.4
[M+Na]+ 311.151878 174.9
[M-H]- 287.155384 178.1
[M+NH4]+ 306.196483 183.2
[M+K]+ 327.125818 168.8
[M+H-H2O]+ 271.159920 159.1
[M+HCOO]- 333.160861 194.0
[M+CH3COO]- 347.176511 179.9
[M+Na-2H]- 309.137326 174.4
[M]+ 288.16211142 166.7
[M]- 288.16320858 166.7
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

patents stripe