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 206.7
[M+Na]+ 465.27239 212.2
[M-H]- 441.27589 215.3
[M+NH4]+ 460.31699 216.4
[M+K]+ 481.24633 199.5
[M+H-H2O]+ 425.28043 200.5
[M+HCOO]- 487.28137 213.0
[M+CH3COO]- 501.29702 213.9
[M+Na-2H]- 463.25784 212.9
[M]+ 442.28262 201.6
[M]- 442.28372 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.