CID 6483294

3-[[4-[1-cyclohexyl-5-(1h-tetrazol-5-yl)benzimidazol-2-yl]phenoxy]methyl]-n-methyl-4-(3-thienyl)benzamide

Structural Information

Molecular Formula
C33H31N7O2S
SMILES
CNC(=O)C1=CC(=C(C=C1)C2=CSC=C2)COC3=CC=C(C=C3)C4=NC5=C(N4C6CCCCC6)C=CC(=C5)C7=NNN=N7
InChI
InChI=1S/C33H31N7O2S/c1-34-33(41)23-9-13-28(24-15-16-43-20-24)25(17-23)19-42-27-11-7-21(8-12-27)32-35-29-18-22(31-36-38-39-37-31)10-14-30(29)40(32)26-5-3-2-4-6-26/h7-18,20,26H,2-6,19H2,1H3,(H,34,41)(H,36,37,38,39)
InChIKey
LKBNGQHEWHAHBF-UHFFFAOYSA-N
Compound name
3-[[4-[1-cyclohexyl-5-(2H-tetrazol-5-yl)benzimidazol-2-yl]phenoxy]methyl]-N-methyl-4-thiophen-3-ylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

589.226 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 590.23328 227.8
[M+Na]+ 612.21522 234.9
[M-H]- 588.21872 241.0
[M+NH4]+ 607.25982 228.4
[M+K]+ 628.18916 226.2
[M+H-H2O]+ 572.22326 216.9
[M+HCOO]- 634.22420 238.6
[M+CH3COO]- 648.23985 233.4
[M+Na-2H]- 610.20067 222.0
[M]+ 589.22545 230.1
[M]- 589.22655 230.1
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.