CID 6483261

[3-[[4-[1-cyclohexyl-5-(1h-tetrazol-5-yl)benzimidazol-2-yl]phenoxy]methyl]-4-(3,4-dimethoxyphenyl)phenyl]-morpholino-methanone

Structural Information

Molecular Formula
C40H41N7O5
SMILES
COC1=C(C=C(C=C1)C2=C(C=C(C=C2)C(=O)N3CCOCC3)COC4=CC=C(C=C4)C5=NC6=C(N5C7CCCCC7)C=CC(=C6)C8=NNN=N8)OC
InChI
InChI=1S/C40H41N7O5/c1-49-36-17-12-27(24-37(36)50-2)33-15-10-29(40(48)46-18-20-51-21-19-46)22-30(33)25-52-32-13-8-26(9-14-32)39-41-34-23-28(38-42-44-45-43-38)11-16-35(34)47(39)31-6-4-3-5-7-31/h8-17,22-24,31H,3-7,18-21,25H2,1-2H3,(H,42,43,44,45)
InChIKey
JNHZVTGELKHMNJ-UHFFFAOYSA-N
Compound name
[3-[[4-[1-cyclohexyl-5-(2H-tetrazol-5-yl)benzimidazol-2-yl]phenoxy]methyl]-4-(3,4-dimethoxyphenyl)phenyl]-morpholin-4-ylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

699.3169 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 700.32418 254.0
[M+Na]+ 722.30612 254.7
[M-H]- 698.30962 265.7
[M+NH4]+ 717.35072 242.9
[M+K]+ 738.28006 247.5
[M+H-H2O]+ 682.31416 236.2
[M+HCOO]- 744.31510 256.3
[M+CH3COO]- 758.33075 254.1
[M+Na-2H]- 720.29157 244.6
[M]+ 699.31635 250.9
[M]- 699.31745 250.9
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.