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

32
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 219.2
[M+Na]+ 491.24578 219.6
[M-H]- 467.24928 233.9
[M+NH4]+ 486.29038 224.9
[M+K]+ 507.21972 212.3
[M+H-H2O]+ 451.25382 204.5
[M+HCOO]- 513.25476 242.0
[M+CH3COO]- 527.27041 225.7
[M+Na-2H]- 489.23123 222.0
[M]+ 468.25601 217.2
[M]- 468.25711 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