CID 427000

N,n,n'-tribenzyl-ethane-1,2-diamine

Structural Information

Molecular Formula
C23H26N2
SMILES
C1=CC=C(C=C1)CNCCN(CC2=CC=CC=C2)CC3=CC=CC=C3
InChI
InChI=1S/C23H26N2/c1-4-10-21(11-5-1)18-24-16-17-25(19-22-12-6-2-7-13-22)20-23-14-8-3-9-15-23/h1-15,24H,16-20H2
InChIKey
HMOBWUSEOFAAAA-UHFFFAOYSA-N
Compound name
N,N',N'-tribenzylethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

330.2096 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.216876 181.1
[M+Na]+ 353.198818 183.3
[M-H]- 329.202324 190.2
[M+NH4]+ 348.243423 193.6
[M+K]+ 369.172758 177.8
[M+H-H2O]+ 313.206860 170.3
[M+HCOO]- 375.207801 206.0
[M+CH3COO]- 389.223451 217.9
[M+Na-2H]- 351.184266 186.9
[M]+ 330.20905142 180.2
[M]- 330.21014858 180.2
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