CID 15956489

[4-[[2-oxo-3-[[1-[3-(tetrazol-1-yl)propyl]benzimidazol-2-yl]methyl]benzimidazol-1-yl]methyl]phenyl]phosphonic acid

Structural Information

Molecular Formula
C26H25N8O4P
SMILES
C1=CC=C2C(=C1)N=C(N2CCCN3C=NN=N3)CN4C5=CC=CC=C5N(C4=O)CC6=CC=C(C=C6)P(=O)(O)O
InChI
InChI=1S/C26H25N8O4P/c35-26-33(16-19-10-12-20(13-11-19)39(36,37)38)23-8-3-4-9-24(23)34(26)17-25-28-21-6-1-2-7-22(21)32(25)15-5-14-31-18-27-29-30-31/h1-4,6-13,18H,5,14-17H2,(H2,36,37,38)
InChIKey
GOBONZNMQMUPDZ-UHFFFAOYSA-N
Compound name
[4-[[2-oxo-3-[[1-[3-(tetrazol-1-yl)propyl]benzimidazol-2-yl]methyl]benzimidazol-1-yl]methyl]phenyl]phosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

544.17365 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 545.18093 223.4
[M+Na]+ 567.16287 231.3
[M-H]- 543.16637 228.1
[M+NH4]+ 562.20747 223.1
[M+K]+ 583.13681 224.6
[M+H-H2O]+ 527.17091 209.3
[M+HCOO]- 589.17185 239.2
[M+CH3COO]- 603.18750 228.6
[M+Na-2H]- 565.14832 219.0
[M]+ 544.17310 228.3
[M]- 544.17420 228.3
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.