CID 6483243

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

Structural Information

Molecular Formula
C38H39N7O5
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)N(CCO)CCO)C7=CC(=CC=C7)O
InChI
InChI=1S/C38H39N7O5/c46-19-17-44(18-20-47)38(49)28-11-15-33(26-5-4-8-31(48)22-26)29(21-28)24-50-32-13-9-25(10-14-32)37-39-34-23-27(36-40-42-43-41-36)12-16-35(34)45(37)30-6-2-1-3-7-30/h4-5,8-16,21-23,30,46-48H,1-3,6-7,17-20,24H2,(H,40,41,42,43)
InChIKey
LRKXLNRDEWJYME-UHFFFAOYSA-N
Compound name
3-[[4-[1-cyclohexyl-5-(2H-tetrazol-5-yl)benzimidazol-2-yl]phenoxy]methyl]-N,N-bis(2-hydroxyethyl)-4-(3-hydroxyphenyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

673.3013 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 674.30858 243.4
[M+Na]+ 696.29052 243.6
[M-H]- 672.29402 252.2
[M+NH4]+ 691.33512 235.2
[M+K]+ 712.26446 236.1
[M+H-H2O]+ 656.29856 228.6
[M+HCOO]- 718.29950 249.7
[M+CH3COO]- 732.31515 244.4
[M+Na-2H]- 694.27597 238.5
[M]+ 673.30075 241.7
[M]- 673.30185 241.7
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.