CID 3090039

N1,n4-di-p-tolylbenzene-1,4-diamine

Structural Information

Molecular Formula
C20H20N2
SMILES
CC1=CC=C(C=C1)NC2=CC=C(C=C2)NC3=CC=C(C=C3)C
InChI
InChI=1S/C20H20N2/c1-15-3-7-17(8-4-15)21-19-11-13-20(14-12-19)22-18-9-5-16(2)6-10-18/h3-14,21-22H,1-2H3
InChIKey
JBMMSVXRQPXCGP-UHFFFAOYSA-N
Compound name
1-N,4-N-bis(4-methylphenyl)benzene-1,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

884
Patents

288.16266 Da
Monoisotopic Mass

5.7
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

literature stripe

Patent stripe

patents stripe