CID 24321

Tribenzylamine

Structural Information

Molecular Formula
C21H21N
SMILES
C1=CC=C(C=C1)CN(CC2=CC=CC=C2)CC3=CC=CC=C3
InChI
InChI=1S/C21H21N/c1-4-10-19(11-5-1)16-22(17-20-12-6-2-7-13-20)18-21-14-8-3-9-15-21/h1-15H,16-18H2
InChIKey
MXHTZQSKTCCMFG-UHFFFAOYSA-N
Compound name
N,N-dibenzyl-1-phenylmethanamine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

19
References

15311
Patents

287.1674 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.17468 169.5
[M+Na]+ 310.15662 173.6
[M-H]- 286.16012 179.2
[M+NH4]+ 305.20122 184.2
[M+K]+ 326.13056 168.5
[M+H-H2O]+ 270.16466 159.5
[M+HCOO]- 332.16560 194.2
[M+CH3COO]- 346.18125 180.5
[M+Na-2H]- 308.14207 175.8
[M]+ 287.16685 168.6
[M]- 287.16795 168.6
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

No patent data available for this compound.