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]+ 331.21688 181.1
[M+Na]+ 353.19882 183.3
[M-H]- 329.20232 190.2
[M+NH4]+ 348.24342 193.6
[M+K]+ 369.17276 177.8
[M+H-H2O]+ 313.20686 170.3
[M+HCOO]- 375.20780 206.0
[M+CH3COO]- 389.22345 217.9
[M+Na-2H]- 351.18427 186.9
[M]+ 330.20905 180.2
[M]- 330.21015 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