CID 118886838

1044243-49-3

Structural Information

Molecular Formula
C30H28N2O2
SMILES
C1CN(CCN1C(=O)OC2=CC=CC=C2)C(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C30H28N2O2/c33-29(34-28-19-11-4-12-20-28)31-21-23-32(24-22-31)30(25-13-5-1-6-14-25,26-15-7-2-8-16-26)27-17-9-3-10-18-27/h1-20H,21-24H2
InChIKey
PXFQOTASJOXPNA-UHFFFAOYSA-N
Compound name
phenyl 4-tritylpiperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
Patents

448.2151 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 449.22238 213.5
[M+Na]+ 471.20432 230.2
[M+NH4]+ 466.24892 221.2
[M+K]+ 487.17826 219.8
[M-H]- 447.20782 223.2
[M+Na-2H]- 469.18977 227.7
[M]+ 448.21455 219.0
[M]- 448.21565 219.0
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