CID 116296

Brn 1195468

Structural Information

Molecular Formula
C32H31NO5
SMILES
C1COCCN1C(=O)C2=CC(=C(C(=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5
InChI
InChI=1S/C32H31NO5/c34-32(33-16-18-35-19-17-33)28-20-29(36-22-25-10-4-1-5-11-25)31(38-24-27-14-8-3-9-15-27)30(21-28)37-23-26-12-6-2-7-13-26/h1-15,20-21H,16-19,22-24H2
InChIKey
WITQUKVZTALCEX-UHFFFAOYSA-N
Compound name
morpholin-4-yl-[3,4,5-tris(phenylmethoxy)phenyl]methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

509.2202 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 510.22748 226.4
[M+Na]+ 532.20942 227.3
[M-H]- 508.21292 238.5
[M+NH4]+ 527.25402 227.2
[M+K]+ 548.18336 223.2
[M+H-H2O]+ 492.21746 211.1
[M+HCOO]- 554.21840 240.9
[M+CH3COO]- 568.23405 231.6
[M+Na-2H]- 530.19487 225.9
[M]+ 509.21965 225.7
[M]- 509.22075 225.7
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.