CID 15956486

1h-benzimidazole-1-acetic acid, 2,3-dihydro-2-oxo-3-[[1-[3-(1h-tetrazol-1-yl)propyl]-1h-benzimidazol-2-yl]methyl]-

Structural Information

Molecular Formula
C21H20N8O3
SMILES
C1=CC=C2C(=C1)N=C(N2CCCN3C=NN=N3)CN4C5=CC=CC=C5N(C4=O)CC(=O)O
InChI
InChI=1S/C21H20N8O3/c30-20(31)13-29-18-9-4-3-8-17(18)28(21(29)32)12-19-23-15-6-1-2-7-16(15)27(19)11-5-10-26-14-22-24-25-26/h1-4,6-9,14H,5,10-13H2,(H,30,31)
InChIKey
YKPDFVYNZRUFNR-UHFFFAOYSA-N
Compound name
2-[2-oxo-3-[[1-[3-(tetrazol-1-yl)propyl]benzimidazol-2-yl]methyl]benzimidazol-1-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

432.16583 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.17311 199.2
[M+Na]+ 455.15505 210.7
[M-H]- 431.15855 203.0
[M+NH4]+ 450.19965 204.6
[M+K]+ 471.12899 203.6
[M+H-H2O]+ 415.16309 187.9
[M+HCOO]- 477.16403 214.2
[M+CH3COO]- 491.17968 207.4
[M+Na-2H]- 453.14050 198.1
[M]+ 432.16528 206.7
[M]- 432.16638 206.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.