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

41
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 211.4
[M+Na]+ 471.20432 212.2
[M-H]- 447.20782 221.4
[M+NH4]+ 466.24892 214.5
[M+K]+ 487.17826 204.9
[M+H-H2O]+ 431.21236 196.6
[M+HCOO]- 493.21330 224.1
[M+CH3COO]- 507.22895 216.6
[M+Na-2H]- 469.18977 213.9
[M]+ 448.21455 204.6
[M]- 448.21565 204.6
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

patents stripe