CID 119750

N,n,n',n'-tetrabenzyl-m-phenylenediamine

Structural Information

Molecular Formula
C34H32N2
SMILES
C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C3=CC(=CC=C3)N(CC4=CC=CC=C4)CC5=CC=CC=C5
InChI
InChI=1S/C34H32N2/c1-5-14-29(15-6-1)25-35(26-30-16-7-2-8-17-30)33-22-13-23-34(24-33)36(27-31-18-9-3-10-19-31)28-32-20-11-4-12-21-32/h1-24H,25-28H2
InChIKey
HCFYTOYUYYYOPD-UHFFFAOYSA-N
Compound name
1-N,1-N,3-N,3-N-tetrabenzylbenzene-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

468.25656 Da
Monoisotopic Mass

8.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 469.26384 225.1
[M+Na]+ 491.24578 243.4
[M+NH4]+ 486.29038 234.8
[M+K]+ 507.21972 229.4
[M-H]- 467.24928 239.5
[M+Na-2H]- 489.23123 242.2
[M]+ 468.25601 232.3
[M]- 468.25711 232.3
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