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 149.5
[M+Na]+ 243.13421 157.5
[M-H]- 219.13771 151.9
[M+NH4]+ 238.17881 167.7
[M+K]+ 259.10815 149.3
[M+H-H2O]+ 203.14225 144.2
[M+HCOO]- 265.14319 172.5
[M+CH3COO]- 279.15884 184.9
[M+Na-2H]- 241.11966 158.7
[M]+ 220.14444 151.6
[M]- 220.14554 151.6
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.