CID 6483241

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

Structural Information

Molecular Formula
C35H33N7O3
SMILES
CNC(=O)C1=CC(=C(C=C1)C2=CC(=CC=C2)O)COC3=CC=C(C=C3)C4=NC5=C(N4C6CCCCC6)C=CC(=C5)C7=NNN=N7
InChI
InChI=1S/C35H33N7O3/c1-36-35(44)25-12-16-30(23-6-5-9-28(43)19-23)26(18-25)21-45-29-14-10-22(11-15-29)34-37-31-20-24(33-38-40-41-39-33)13-17-32(31)42(34)27-7-3-2-4-8-27/h5-6,9-20,27,43H,2-4,7-8,21H2,1H3,(H,36,44)(H,38,39,40,41)
InChIKey
VFAIWUWYMCPNOV-UHFFFAOYSA-N
Compound name
3-[[4-[1-cyclohexyl-5-(2H-tetrazol-5-yl)benzimidazol-2-yl]phenoxy]methyl]-4-(3-hydroxyphenyl)-N-methylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

599.26447 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 600.27175 234.7
[M+Na]+ 622.25369 238.3
[M-H]- 598.25719 244.9
[M+NH4]+ 617.29829 230.4
[M+K]+ 638.22763 228.6
[M+H-H2O]+ 582.26173 219.5
[M+HCOO]- 644.26267 244.0
[M+CH3COO]- 658.27832 237.7
[M+Na-2H]- 620.23914 230.8
[M]+ 599.26392 231.8
[M]- 599.26502 231.8
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.