CID 21124187

2-(6-methoxybenzoxazol-2-yl)-1,3-dimethyl-1h-benzo[d]imidazolium methyl sulphate

Structural Information

Molecular Formula
C17H17N3O2
SMILES
CN1C(N(C2=CC=CC=C21)C)C3=NC4=C(O3)C=C(C=C4)OC
InChI
InChI=1S/C17H17N3O2/c1-19-13-6-4-5-7-14(13)20(2)17(19)16-18-12-9-8-11(21-3)10-15(12)22-16/h4-10,17H,1-3H3
InChIKey
PEENIGXBGVQKEL-UHFFFAOYSA-N
Compound name
2-(1,3-dimethyl-2H-benzimidazol-2-yl)-6-methoxy-1,3-benzoxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.13208 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.139356 168.7
[M+Na]+ 318.121298 181.1
[M-H]- 294.124804 175.7
[M+NH4]+ 313.165903 185.1
[M+K]+ 334.095238 177.2
[M+H-H2O]+ 278.129340 160.5
[M+HCOO]- 340.130281 188.6
[M+CH3COO]- 354.145931 181.6
[M+Na-2H]- 316.106746 171.5
[M]+ 295.13153142 174.9
[M]- 295.13262858 174.9
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.