CID 169501881

Hydroxybilastine

Structural Information

Molecular Formula
C27H35N3O4
SMILES
CC(C)(C1=CC=C(C=C1)CC(N2CCC(CC2)C3=NC4=CC=CC=C4N3CCOC)O)C(=O)O
InChI
InChI=1S/C27H35N3O4/c1-27(2,26(32)33)21-10-8-19(9-11-21)18-24(31)29-14-12-20(13-15-29)25-28-22-6-4-5-7-23(22)30(25)16-17-34-3/h4-11,20,24,31H,12-18H2,1-3H3,(H,32,33)
InChIKey
GTRDBRXKKYUZQO-UHFFFAOYSA-N
Compound name
2-[4-[2-hydroxy-2-[4-[1-(2-methoxyethyl)benzimidazol-2-yl]piperidin-1-yl]ethyl]phenyl]-2-methylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

465.26276 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 466.27004 215.8
[M+Na]+ 488.25198 218.6
[M-H]- 464.25548 219.0
[M+NH4]+ 483.29658 220.5
[M+K]+ 504.22592 213.2
[M+H-H2O]+ 448.26002 205.0
[M+HCOO]- 510.26096 224.6
[M+CH3COO]- 524.27661 232.5
[M+Na-2H]- 486.23743 213.2
[M]+ 465.26221 215.8
[M]- 465.26331 215.8
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.