CID 106653

68123-36-4

Structural Information

Molecular Formula
C15H22ClN3
SMILES
CCN(CC)CCCN1C(=NC2=C1C=CC(=C2)Cl)C
InChI
InChI=1S/C15H22ClN3/c1-4-18(5-2)9-6-10-19-12(3)17-14-11-13(16)7-8-15(14)19/h7-8,11H,4-6,9-10H2,1-3H3
InChIKey
DUBFJCBUAYLDNZ-UHFFFAOYSA-N
Compound name
3-(5-chloro-2-methylbenzimidazol-1-yl)-N,N-diethylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.15024 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.15752 164.9
[M+Na]+ 302.13946 179.0
[M+NH4]+ 297.18406 173.5
[M+K]+ 318.11340 172.0
[M-H]- 278.14296 167.6
[M+Na-2H]- 300.12491 171.0
[M]+ 279.14969 168.0
[M]- 279.15079 168.0
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.