CID 198858

Anc 56

Structural Information

Molecular Formula
C21H26NO4
SMILES
C[N+]1(CCOCC1)CCOC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)O
InChI
InChI=1S/C21H26NO4/c1-22(12-15-25-16-13-22)14-17-26-20(23)21(24,18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-11,24H,12-17H2,1H3/q+1
InChIKey
AFXRTBXXCLLJAO-UHFFFAOYSA-N
Compound name
2-(4-methylmorpholin-4-ium-4-yl)ethyl 2-hydroxy-2,2-diphenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

356.1862 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.19348 183.7
[M+Na]+ 379.17542 197.8
[M+NH4]+ 374.22002 192.8
[M+K]+ 395.14936 190.2
[M-H]- 355.17892 190.6
[M+Na-2H]- 377.16087 194.0
[M]+ 356.18565 188.2
[M]- 356.18675 188.2
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.