CID 16218148

N,n'-diphenyl-n,n'-di-p-tolylbenzene-1,4-diamine

Structural Information

Molecular Formula
C32H28N2
SMILES
CC1=CC=C(C=C1)N(C2=CC=CC=C2)C3=CC=C(C=C3)N(C4=CC=CC=C4)C5=CC=C(C=C5)C
InChI
InChI=1S/C32H28N2/c1-25-13-17-29(18-14-25)33(27-9-5-3-6-10-27)31-21-23-32(24-22-31)34(28-11-7-4-8-12-28)30-19-15-26(2)16-20-30/h3-24H,1-2H3
InChIKey
FQNVFRPAQRVHKO-UHFFFAOYSA-N
Compound name
1-N,4-N-bis(4-methylphenyl)-1-N,4-N-diphenylbenzene-1,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5224
Patents

440.22525 Da
Monoisotopic Mass

9.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 441.23253 212.5
[M+Na]+ 463.21447 215.7
[M-H]- 439.21797 228.6
[M+NH4]+ 458.25907 220.0
[M+K]+ 479.18841 209.0
[M+H-H2O]+ 423.22251 198.4
[M+HCOO]- 485.22345 236.1
[M+CH3COO]- 499.23910 220.6
[M+Na-2H]- 461.19992 214.9
[M]+ 440.22470 210.9
[M]- 440.22580 210.9
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