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]+ 357.193476 187.4
[M+Na]+ 379.175418 189.5
[M-H]- 355.178924 193.6
[M+NH4]+ 374.220023 197.2
[M+K]+ 395.149358 181.4
[M+H-H2O]+ 339.183460 180.3
[M+HCOO]- 401.184401 200.5
[M+CH3COO]- 415.200051 200.7
[M+Na-2H]- 377.160866 194.7
[M]+ 356.18565142 183.5
[M]- 356.18674858 183.5
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.