CID 15956485

3-[[1-[3-(tetrazol-1-yl)propyl]benzimidazol-2-yl]methyl]-1h-benzimidazol-2-one

Structural Information

Molecular Formula
C19H18N8O
SMILES
C1=CC=C2C(=C1)NC(=O)N2CC3=NC4=CC=CC=C4N3CCCN5C=NN=N5
InChI
InChI=1S/C19H18N8O/c28-19-22-15-7-2-4-9-17(15)27(19)12-18-21-14-6-1-3-8-16(14)26(18)11-5-10-25-13-20-23-24-25/h1-4,6-9,13H,5,10-12H2,(H,22,28)
InChIKey
LCDJEZJVODTJPC-UHFFFAOYSA-N
Compound name
3-[[1-[3-(tetrazol-1-yl)propyl]benzimidazol-2-yl]methyl]-1H-benzimidazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

374.16037 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.16765 186.0
[M+Na]+ 397.14959 198.7
[M-H]- 373.15309 189.3
[M+NH4]+ 392.19419 193.9
[M+K]+ 413.12353 190.4
[M+H-H2O]+ 357.15763 174.3
[M+HCOO]- 419.15857 202.4
[M+CH3COO]- 433.17422 195.2
[M+Na-2H]- 395.13504 187.1
[M]+ 374.15982 191.3
[M]- 374.16092 191.3
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.