CID 59448

102516-94-9

Structural Information

Molecular Formula
C14H22N3O
SMILES
CCN(CC)CCOC[N+]1=CNC2=CC=CC=C21
InChI
InChI=1S/C14H21N3O/c1-3-16(4-2)9-10-18-12-17-11-15-13-7-5-6-8-14(13)17/h5-8,11H,3-4,9-10,12H2,1-2H3/p+1
InChIKey
ZUHPCANRBBHPRK-UHFFFAOYSA-O
Compound name
2-(3H-benzimidazol-1-ium-1-ylmethoxy)-N,N-diethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.17628 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.18356 159.0
[M+Na]+ 271.16550 166.1
[M-H]- 247.16900 161.0
[M+NH4]+ 266.21010 176.0
[M+K]+ 287.13944 157.4
[M+H-H2O]+ 231.17354 153.3
[M+HCOO]- 293.17448 181.3
[M+CH3COO]- 307.19013 190.9
[M+Na-2H]- 269.15095 167.1
[M]+ 248.17573 161.8
[M]- 248.17683 161.8
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.