CID 6483251

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

Structural Information

Molecular Formula
C37H35ClFN7O3
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)NCCCO)C7=CC(=C(C=C7)F)Cl
InChI
InChI=1S/C37H35ClFN7O3/c38-31-20-24(10-15-32(31)39)30-14-9-26(37(48)40-17-4-18-47)19-27(30)22-49-29-12-7-23(8-13-29)36-41-33-21-25(35-42-44-45-43-35)11-16-34(33)46(36)28-5-2-1-3-6-28/h7-16,19-21,28,47H,1-6,17-18,22H2,(H,40,48)(H,42,43,44,45)
InChIKey
SVEXEWNEZVHLHX-UHFFFAOYSA-N
Compound name
4-(3-chloro-4-fluorophenyl)-3-[[4-[1-cyclohexyl-5-(2H-tetrazol-5-yl)benzimidazol-2-yl]phenoxy]methyl]-N-(3-hydroxypropyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

679.2474 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 680.25468 250.5
[M+Na]+ 702.23662 254.6
[M-H]- 678.24012 258.9
[M+NH4]+ 697.28122 244.2
[M+K]+ 718.21056 243.8
[M+H-H2O]+ 662.24466 233.7
[M+HCOO]- 724.24560 253.6
[M+CH3COO]- 738.26125 252.0
[M+Na-2H]- 700.22207 244.1
[M]+ 679.24685 250.4
[M]- 679.24795 250.4
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.