CID 6483295

[3-[[4-[1-cyclohexyl-5-(1h-tetrazol-5-yl)benzimidazol-2-yl]phenoxy]methyl]-4-(3-thienyl)phenyl]-(4-hydroxy-1-piperidyl)methanone

Structural Information

Molecular Formula
C37H37N7O3S
SMILES
C1CCC(CC1)N2C3=C(C=C(C=C3)C4=NNN=N4)N=C2C5=CC=C(C=C5)OCC6=C(C=CC(=C6)C(=O)N7CCC(CC7)O)C8=CSC=C8
InChI
InChI=1S/C37H37N7O3S/c45-30-14-17-43(18-15-30)37(46)26-8-12-32(27-16-19-48-23-27)28(20-26)22-47-31-10-6-24(7-11-31)36-38-33-21-25(35-39-41-42-40-35)9-13-34(33)44(36)29-4-2-1-3-5-29/h6-13,16,19-21,23,29-30,45H,1-5,14-15,17-18,22H2,(H,39,40,41,42)
InChIKey
MEGKFHRKTUDXHC-UHFFFAOYSA-N
Compound name
[3-[[4-[1-cyclohexyl-5-(2H-tetrazol-5-yl)benzimidazol-2-yl]phenoxy]methyl]-4-thiophen-3-ylphenyl]-(4-hydroxypiperidin-1-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

659.2679 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 660.27518 237.1
[M+Na]+ 682.25712 241.2
[M-H]- 658.26062 249.6
[M+NH4]+ 677.30172 232.6
[M+K]+ 698.23106 232.5
[M+H-H2O]+ 642.26516 225.3
[M+HCOO]- 704.26610 240.2
[M+CH3COO]- 718.28175 239.8
[M+Na-2H]- 680.24257 227.1
[M]+ 659.26735 235.0
[M]- 659.26845 235.0
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.