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
2
Annotation Hits

0
References

40
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 210.0
[M+Na]+ 458.24142 214.0
[M-H]- 434.24492 213.3
[M+NH4]+ 453.28602 216.2
[M+K]+ 474.21536 207.2
[M+H-H2O]+ 418.24946 199.2
[M+HCOO]- 480.25040 220.0
[M+CH3COO]- 494.26605 226.6
[M+Na-2H]- 456.22687 208.6
[M]+ 435.25165 208.9
[M]- 435.25275 208.9
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

patents stripe