CID 57013

96067-96-8

Structural Information

Molecular Formula
C26H27NO4
SMILES
C1COCCN1CC(C2=CC=CC=C2)OC(=O)C(C3=CC=CC=C3)(C4=CC=CC=C4)O
InChI
InChI=1S/C26H27NO4/c28-25(26(29,22-12-6-2-7-13-22)23-14-8-3-9-15-23)31-24(21-10-4-1-5-11-21)20-27-16-18-30-19-17-27/h1-15,24,29H,16-20H2
InChIKey
YPLMVCJXGPCJKB-UHFFFAOYSA-N
Compound name
(2-morpholin-4-yl-1-phenylethyl) 2-hydroxy-2,2-diphenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

417.194 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 418.20128 199.7
[M+Na]+ 440.18322 199.6
[M-H]- 416.18672 207.8
[M+NH4]+ 435.22782 204.0
[M+K]+ 456.15716 196.2
[M+H-H2O]+ 400.19126 187.9
[M+HCOO]- 462.19220 211.6
[M+CH3COO]- 476.20785 220.2
[M+Na-2H]- 438.16867 202.3
[M]+ 417.19345 195.2
[M]- 417.19455 195.2
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.