CID 211879

23711-19-5

Structural Information

Molecular Formula
C14H21N3
SMILES
CCN(CC)CCN1C=NC2=C1C=CC(=C2)C
InChI
InChI=1S/C14H21N3/c1-4-16(5-2)8-9-17-11-15-13-10-12(3)6-7-14(13)17/h6-7,10-11H,4-5,8-9H2,1-3H3
InChIKey
HXYNRSCELZWYCG-UHFFFAOYSA-N
Compound name
N,N-diethyl-2-(5-methylbenzimidazol-1-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.17355 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.180826 155.0
[M+Na]+ 254.162768 163.9
[M-H]- 230.166274 158.5
[M+NH4]+ 249.207373 174.2
[M+K]+ 270.136708 160.9
[M+H-H2O]+ 214.170810 146.8
[M+HCOO]- 276.171751 178.9
[M+CH3COO]- 290.187401 199.4
[M+Na-2H]- 252.148216 160.3
[M]+ 231.17300142 160.0
[M]- 231.17409858 160.0
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.