CID 6483257

Glycine, n-[[3'-chloro-2-[[4-[1-cyclohexyl-5-(1h-tetrazol-5-yl)-1h-benzimidazol-2-yl]phenoxy]methyl]-4'-fluoro[1,1'-biphenyl]-4-yl]carbonyl]-, 1,1-dimethylethyl ester

Structural Information

Molecular Formula
C40H39ClFN7O4
SMILES
CC(C)(C)OC(=O)CNC(=O)C1=CC(=C(C=C1)C2=CC(=C(C=C2)F)Cl)COC3=CC=C(C=C3)C4=NC5=C(N4C6CCCCC6)C=CC(=C5)C7=NNN=N7
InChI
InChI=1S/C40H39ClFN7O4/c1-40(2,3)53-36(50)22-43-39(51)27-11-16-31(25-12-17-33(42)32(41)20-25)28(19-27)23-52-30-14-9-24(10-15-30)38-44-34-21-26(37-45-47-48-46-37)13-18-35(34)49(38)29-7-5-4-6-8-29/h9-21,29H,4-8,22-23H2,1-3H3,(H,43,51)(H,45,46,47,48)
InChIKey
YGSLRGPRUUBYJJ-UHFFFAOYSA-N
Compound name
tert-butyl 2-[[4-(3-chloro-4-fluorophenyl)-3-[[4-[1-cyclohexyl-5-(2H-tetrazol-5-yl)benzimidazol-2-yl]phenoxy]methyl]benzoyl]amino]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

735.2736 Da
Monoisotopic Mass

8.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 736.28088 264.7
[M+Na]+ 758.26282 267.3
[M-H]- 734.26632 274.5
[M+NH4]+ 753.30742 256.5
[M+K]+ 774.23676 258.9
[M+H-H2O]+ 718.27086 248.1
[M+HCOO]- 780.27180 265.8
[M+CH3COO]- 794.28745 265.3
[M+Na-2H]- 756.24827 258.1
[M]+ 735.27305 266.3
[M]- 735.27415 266.3
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.