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]+ 443.29045 200.7
[M+Na]+ 465.27239 218.0
[M+NH4]+ 460.31699 214.4
[M+K]+ 481.24633 205.6
[M-H]- 441.27589 212.4
[M+Na-2H]- 463.25784 213.9
[M]+ 442.28262 208.1
[M]- 442.28372 208.1
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.