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

26
Patents

468.25656 Da
Monoisotopic Mass

8.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 469.263836 219.2
[M+Na]+ 491.245778 219.6
[M-H]- 467.249284 233.9
[M+NH4]+ 486.290383 224.9
[M+K]+ 507.219718 212.3
[M+H-H2O]+ 451.253820 204.5
[M+HCOO]- 513.254761 242.0
[M+CH3COO]- 527.270411 225.7
[M+Na-2H]- 489.231226 222.0
[M]+ 468.25601142 217.2
[M]- 468.25710858 217.2
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