CID 125334430

5-methoxy-2-(4-methoxy-3,5-dimethylpyridin-2-yl)-1h-benzo[d]imidazole

Structural Information

Molecular Formula
C16H17N3O2
SMILES
CC1=CN=C(C(=C1OC)C)C2=NC3=C(N2)C=C(C=C3)OC
InChI
InChI=1S/C16H17N3O2/c1-9-8-17-14(10(2)15(9)21-4)16-18-12-6-5-11(20-3)7-13(12)19-16/h5-8H,1-4H3,(H,18,19)
InChIKey
DBOFINXREZPYFI-UHFFFAOYSA-N
Compound name
6-methoxy-2-(4-methoxy-3,5-dimethylpyridin-2-yl)-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.13208 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.13936 166.5
[M+Na]+ 306.12130 178.5
[M-H]- 282.12480 170.4
[M+NH4]+ 301.16590 181.3
[M+K]+ 322.09524 173.1
[M+H-H2O]+ 266.12934 157.6
[M+HCOO]- 328.13028 186.9
[M+CH3COO]- 342.14593 178.7
[M+Na-2H]- 304.10675 170.5
[M]+ 283.13153 171.7
[M]- 283.13263 171.7
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.