CID 3059105

Brn 5583534

Structural Information

Molecular Formula
C17H16N2O2
SMILES
CN1C2=CC=CC=C2N=C1C3(OCCO3)C4=CC=CC=C4
InChI
InChI=1S/C17H16N2O2/c1-19-15-10-6-5-9-14(15)18-16(19)17(20-11-12-21-17)13-7-3-2-4-8-13/h2-10H,11-12H2,1H3
InChIKey
QONJFQSMMBSPSM-UHFFFAOYSA-N
Compound name
1-methyl-2-(2-phenyl-1,3-dioxolan-2-yl)benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.1212 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.128476 161.1
[M+Na]+ 303.110418 171.2
[M-H]- 279.113924 171.3
[M+NH4]+ 298.155023 178.0
[M+K]+ 319.084358 168.9
[M+H-H2O]+ 263.118460 153.0
[M+HCOO]- 325.119401 181.8
[M+CH3COO]- 339.135051 174.3
[M+Na-2H]- 301.095866 166.3
[M]+ 280.12065142 163.8
[M]- 280.12174858 163.8
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.