CID 6483306

Benzamide, n-(3-amino-3-oxopropyl)-3-[[4-[1-cyclohexyl-5-(1h-tetrazol-5-yl)-1h-benzimidazol-2-yl]phenoxy]methyl]-4-[4-(trifluoroacetyl)-1h-indol-6-yl]-

Structural Information

Molecular Formula
C41H36F3N9O4
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)NCCC(=O)N)C7=CC(=C8C=CNC8=C7)C(=O)C(F)(F)F
InChI
InChI=1S/C41H36F3N9O4/c42-41(43,44)37(55)32-19-26(21-33-31(32)14-16-46-33)30-12-8-25(40(56)47-17-15-36(45)54)18-27(30)22-57-29-10-6-23(7-11-29)39-48-34-20-24(38-49-51-52-50-38)9-13-35(34)53(39)28-4-2-1-3-5-28/h6-14,16,18-21,28,46H,1-5,15,17,22H2,(H2,45,54)(H,47,56)(H,49,50,51,52)
InChIKey
FCAZIMJFILGHPM-UHFFFAOYSA-N
Compound name
N-(3-amino-3-oxopropyl)-3-[[4-[1-cyclohexyl-5-(2H-tetrazol-5-yl)benzimidazol-2-yl]phenoxy]methyl]-4-[4-(2,2,2-trifluoroacetyl)-1H-indol-6-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

775.28424 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 776.29152 250.1
[M+Na]+ 798.27346 251.5
[M-H]- 774.27696 258.4
[M+NH4]+ 793.31806 240.3
[M+K]+ 814.24740 243.4
[M+H-H2O]+ 758.28150 235.9
[M+HCOO]- 820.28244 253.1
[M+CH3COO]- 834.29809 250.1
[M+Na-2H]- 796.25891 237.8
[M]+ 775.28369 246.9
[M]- 775.28479 246.9
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.