CID 169502214

E-10-hydroxydesmethylnortriptyline-glucuronide

Structural Information

Molecular Formula
C24H27NO7
SMILES
C1C(C2=CC=CC=C2C(=CCCN)C3=CC=CC=C31)OC4C(C(C(C(O4)C(=O)O)O)O)O
InChI
InChI=1S/C24H27NO7/c25-11-5-10-15-14-7-2-1-6-13(14)12-18(17-9-4-3-8-16(15)17)31-24-21(28)19(26)20(27)22(32-24)23(29)30/h1-4,6-10,18-22,24,26-28H,5,11-12,25H2,(H,29,30)
InChIKey
WZIBNRDBLNNJFA-UHFFFAOYSA-N
Compound name
6-[[2-(3-aminopropylidene)-9-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

441.17874 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 442.18602 206.3
[M+Na]+ 464.16796 213.6
[M+NH4]+ 459.21256 209.8
[M+K]+ 480.14190 210.7
[M-H]- 440.17146 208.6
[M+Na-2H]- 462.15341 205.4
[M]+ 441.17819 207.6
[M]- 441.17929 207.6
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.