CID 36893

1-((2-(dimethylamino)ethoxy)methyl)-benzimidazole dioxalate

Structural Information

Molecular Formula
C12H18N3O
SMILES
CN(C)CCOC[N+]1=CNC2=CC=CC=C21
InChI
InChI=1S/C12H17N3O/c1-14(2)7-8-16-10-15-9-13-11-5-3-4-6-12(11)15/h3-6,9H,7-8,10H2,1-2H3/p+1
InChIKey
DORUMEHKKLVHIC-UHFFFAOYSA-O
Compound name
2-(3H-benzimidazol-1-ium-1-ylmethoxy)-N,N-dimethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.14499 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.15227 146.3
[M+Na]+ 243.13421 160.4
[M+NH4]+ 238.17881 155.4
[M+K]+ 259.10815 156.3
[M-H]- 219.13771 149.7
[M+Na-2H]- 241.11966 153.7
[M]+ 220.14444 149.5
[M]- 220.14554 149.5
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.