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
2
Annotation Hits

0
References

841
Patents

288.16266 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.16994 168.4
[M+Na]+ 311.15188 174.9
[M-H]- 287.15538 178.1
[M+NH4]+ 306.19648 183.2
[M+K]+ 327.12582 168.8
[M+H-H2O]+ 271.15992 159.1
[M+HCOO]- 333.16086 194.0
[M+CH3COO]- 347.17651 179.9
[M+Na-2H]- 309.13733 174.4
[M]+ 288.16211 166.7
[M]- 288.16321 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