CID 154699868

Ns00117594

Structural Information

Molecular Formula
C22H30N3O6
SMILES
C[N+](C)(CCN(CC1=CC=CC=C1)C2=CC=CC=N2)C3C(C(C(C(O3)C(=O)O)O)O)O
InChI
InChI=1S/C22H29N3O6/c1-25(2,21-19(28)17(26)18(27)20(31-21)22(29)30)13-12-24(16-10-6-7-11-23-16)14-15-8-4-3-5-9-15/h3-11,17-21,26-28H,12-14H2,1-2H3/p+1
InChIKey
PAYFYCLCAWTSBX-UHFFFAOYSA-O
Compound name
2-[benzyl(pyridin-2-yl)amino]ethyl-(6-carboxy-3,4,5-trihydroxyoxan-2-yl)-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

432.21347 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.22075 200.3
[M+Na]+ 455.20269 210.8
[M+NH4]+ 450.24729 205.0
[M+K]+ 471.17663 208.7
[M-H]- 431.20619 206.2
[M+Na-2H]- 453.18814 205.5
[M]+ 432.21292 203.5
[M]- 432.21402 203.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.