CID 6483266

[1,1'-biphenyl]-4-carboxamide, 2-[[4-[1-cyclohexyl-5-(1h-tetrazol-5-yl)-1h-benzimidazol-2-yl]phenoxy]methyl]-n,n-bis(2-hydroxyethyl)-3',4'-dimethoxy-

Structural Information

Molecular Formula
C40H43N7O6
SMILES
COC1=C(C=C(C=C1)C2=C(C=C(C=C2)C(=O)N(CCO)CCO)COC3=CC=C(C=C3)C4=NC5=C(N4C6CCCCC6)C=CC(=C5)C7=NNN=N7)OC
InChI
InChI=1S/C40H43N7O6/c1-51-36-17-12-27(24-37(36)52-2)33-15-10-29(40(50)46(18-20-48)19-21-49)22-30(33)25-53-32-13-8-26(9-14-32)39-41-34-23-28(38-42-44-45-43-38)11-16-35(34)47(39)31-6-4-3-5-7-31/h8-17,22-24,31,48-49H,3-7,18-21,25H2,1-2H3,(H,42,43,44,45)
InChIKey
UJIXWFPFPZVYCU-UHFFFAOYSA-N
Compound name
3-[[4-[1-cyclohexyl-5-(2H-tetrazol-5-yl)benzimidazol-2-yl]phenoxy]methyl]-4-(3,4-dimethoxyphenyl)-N,N-bis(2-hydroxyethyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

717.32745 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 718.33473 255.1
[M+Na]+ 740.31667 254.9
[M-H]- 716.32017 264.9
[M+NH4]+ 735.36127 245.6
[M+K]+ 756.29061 248.8
[M+H-H2O]+ 700.32471 239.5
[M+HCOO]- 762.32565 261.9
[M+CH3COO]- 776.34130 255.7
[M+Na-2H]- 738.30212 248.9
[M]+ 717.32690 256.8
[M]- 717.32800 256.8
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.