CID 69130321

202189-83-1

Structural Information

Molecular Formula
C26H33N3O3
SMILES
CC(C)(C1=CC=C(C=C1)CCN2CCC(CC2)C3=NC4=CC=CC=C4N3CCO)C(=O)O
InChI
InChI=1S/C26H33N3O3/c1-26(2,25(31)32)21-9-7-19(8-10-21)11-14-28-15-12-20(13-16-28)24-27-22-5-3-4-6-23(22)29(24)17-18-30/h3-10,20,30H,11-18H2,1-2H3,(H,31,32)
InChIKey
RMALIQMLRXZLAU-UHFFFAOYSA-N
Compound name
2-[4-[2-[4-[1-(2-hydroxyethyl)benzimidazol-2-yl]piperidin-1-yl]ethyl]phenyl]-2-methylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39
Patents

435.2522 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 436.25948 209.2
[M+Na]+ 458.24142 221.1
[M+NH4]+ 453.28602 214.2
[M+K]+ 474.21536 216.4
[M-H]- 434.24492 211.9
[M+Na-2H]- 456.22687 214.4
[M]+ 435.25165 211.5
[M]- 435.25275 211.5
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.