CID 3685195

N-trityl-2-(2-(2-(tritylamino)ethoxy)ethoxy)ethanamine

Structural Information

Molecular Formula
C44H44N2O2
SMILES
C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)NCCOCCOCCNC(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6
InChI
InChI=1S/C44H44N2O2/c1-7-19-37(20-8-1)43(38-21-9-2-10-22-38,39-23-11-3-12-24-39)45-31-33-47-35-36-48-34-32-46-44(40-25-13-4-14-26-40,41-27-15-5-16-28-41)42-29-17-6-18-30-42/h1-30,45-46H,31-36H2
InChIKey
IJRHQBAXGORRJF-UHFFFAOYSA-N
Compound name
N-trityl-2-[2-[2-(tritylamino)ethoxy]ethoxy]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

632.3403 Da
Monoisotopic Mass

8.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 633.34758 251.0
[M+Na]+ 655.32952 247.1
[M-H]- 631.33302 263.7
[M+NH4]+ 650.37412 247.6
[M+K]+ 671.30346 238.7
[M+H-H2O]+ 615.33756 234.5
[M+HCOO]- 677.33850 266.9
[M+CH3COO]- 691.35415 252.6
[M+Na-2H]- 653.31497 255.9
[M]+ 632.33975 247.5
[M]- 632.34085 247.5
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.