CID 169501889

Hydroxybilastine-glucuronide

Structural Information

Molecular Formula
C33H43N3O10
SMILES
CC(C)(C1=CC=C(C=C1)CC(N2CCC(CC2)C3=NC4=CC=CC=C4N3CCOC)OC5C(C(C(C(O5)C(=O)O)O)O)O)C(=O)O
InChI
InChI=1S/C33H43N3O10/c1-33(2,32(42)43)21-10-8-19(9-11-21)18-24(45-31-27(39)25(37)26(38)28(46-31)30(40)41)35-14-12-20(13-15-35)29-34-22-6-4-5-7-23(22)36(29)16-17-44-3/h4-11,20,24-28,31,37-39H,12-18H2,1-3H3,(H,40,41)(H,42,43)
InChIKey
HISHHKVSZKNNBU-UHFFFAOYSA-N
Compound name
6-[2-[4-(2-carboxypropan-2-yl)phenyl]-1-[4-[1-(2-methoxyethyl)benzimidazol-2-yl]piperidin-1-yl]ethoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

641.29486 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 642.30214 248.3
[M+Na]+ 664.28408 254.6
[M+NH4]+ 659.32868 247.4
[M+K]+ 680.25802 256.7
[M-H]- 640.28758 249.5
[M+Na-2H]- 662.26953 247.0
[M]+ 641.29431 248.8
[M]- 641.29541 248.8
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.