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

literature stripe

Patent stripe

patents stripe