CID 6483263

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

Structural Information

Molecular Formula
C39H41N7O5
SMILES
COC1=C(C=C(C=C1)C2=C(C=C(C=C2)C(=O)NCCCO)COC3=CC=C(C=C3)C4=NC5=C(N4C6CCCCC6)C=CC(=C5)C7=NNN=N7)OC
InChI
InChI=1S/C39H41N7O5/c1-49-35-18-13-26(23-36(35)50-2)32-16-11-28(39(48)40-19-6-20-47)21-29(32)24-51-31-14-9-25(10-15-31)38-41-33-22-27(37-42-44-45-43-37)12-17-34(33)46(38)30-7-4-3-5-8-30/h9-18,21-23,30,47H,3-8,19-20,24H2,1-2H3,(H,40,48)(H,42,43,44,45)
InChIKey
WGFPQNPXQLGPLH-UHFFFAOYSA-N
Compound name
3-[[4-[1-cyclohexyl-5-(2H-tetrazol-5-yl)benzimidazol-2-yl]phenoxy]methyl]-4-(3,4-dimethoxyphenyl)-N-(3-hydroxypropyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

687.3169 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 688.32418 252.4
[M+Na]+ 710.30612 253.7
[M-H]- 686.30962 262.2
[M+NH4]+ 705.35072 244.4
[M+K]+ 726.28006 245.7
[M+H-H2O]+ 670.31416 236.5
[M+HCOO]- 732.31510 260.3
[M+CH3COO]- 746.33075 253.5
[M+Na-2H]- 708.29157 246.8
[M]+ 687.31635 253.1
[M]- 687.31745 253.1
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.