CID 6483305

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

Structural Information

Molecular Formula
C38H31F3N8O3
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)C7=CC(=C8C=CNC8=C7)C(=O)C(F)(F)F
InChI
InChI=1S/C38H31F3N8O3/c39-38(40,41)34(50)30-17-24(19-31-29(30)14-15-43-31)28-12-8-22(35(42)51)16-25(28)20-52-27-10-6-21(7-11-27)37-44-32-18-23(36-45-47-48-46-36)9-13-33(32)49(37)26-4-2-1-3-5-26/h6-19,26,43H,1-5,20H2,(H2,42,51)(H,45,46,47,48)
InChIKey
ISUSBYKRMNZVDU-UHFFFAOYSA-N
Compound name
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

704.24713 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 705.25441 244.4
[M+Na]+ 727.23635 248.8
[M-H]- 703.23985 252.7
[M+NH4]+ 722.28095 237.7
[M+K]+ 743.21029 239.0
[M+H-H2O]+ 687.24439 229.7
[M+HCOO]- 749.24533 247.7
[M+CH3COO]- 763.26098 245.8
[M+Na-2H]- 725.22180 237.6
[M]+ 704.24658 240.6
[M]- 704.24768 240.6
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.