CID 213103

25487-68-7

Structural Information

Molecular Formula
C26H38N2O4
SMILES
CC1COC(C[N+]1(C)C)(C2=CC=C(C=C2)C3=CC=C(C=C3)C4(C[N+](C(CO4)C)(C)C)O)O
InChI
InChI=1S/C26H38N2O4/c1-19-15-31-25(29,17-27(19,3)4)23-11-7-21(8-12-23)22-9-13-24(14-10-22)26(30)18-28(5,6)20(2)16-32-26/h7-14,19-20,29-30H,15-18H2,1-6H3/q+2
InChIKey
SAFHZJGXTQRFIW-UHFFFAOYSA-N
Compound name
2-[4-[4-(2-hydroxy-4,4,5-trimethylmorpholin-4-ium-2-yl)phenyl]phenyl]-4,4,5-trimethylmorpholin-4-ium-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

442.28317 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 443.290446 206.7
[M+Na]+ 465.272388 212.2
[M-H]- 441.275894 215.3
[M+NH4]+ 460.316993 216.4
[M+K]+ 481.246328 199.5
[M+H-H2O]+ 425.280430 200.5
[M+HCOO]- 487.281371 213.0
[M+CH3COO]- 501.297021 213.9
[M+Na-2H]- 463.257836 212.9
[M]+ 442.28262142 201.6
[M]- 442.28371858 201.6
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

No patent data available for this compound.