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]+ 281.12848 161.1
[M+Na]+ 303.11042 171.2
[M-H]- 279.11392 171.3
[M+NH4]+ 298.15502 178.0
[M+K]+ 319.08436 168.9
[M+H-H2O]+ 263.11846 153.0
[M+HCOO]- 325.11940 181.8
[M+CH3COO]- 339.13505 174.3
[M+Na-2H]- 301.09587 166.3
[M]+ 280.12065 163.8
[M]- 280.12175 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.