CID 3050674

66910-66-5

Structural Information

Molecular Formula
C18H29N3O2
SMILES
CCN(CC)CCCC(C)N1C=NC2=CC(=C(C=C21)OC)OC
InChI
InChI=1S/C18H29N3O2/c1-6-20(7-2)10-8-9-14(3)21-13-19-15-11-17(22-4)18(23-5)12-16(15)21/h11-14H,6-10H2,1-5H3
InChIKey
IXEOHCNNTXQMEQ-UHFFFAOYSA-N
Compound name
4-(5,6-dimethoxybenzimidazol-1-yl)-N,N-diethylpentan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

319.22598 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.233256 180.2
[M+Na]+ 342.215198 187.5
[M-H]- 318.218704 183.4
[M+NH4]+ 337.259803 195.8
[M+K]+ 358.189138 185.3
[M+H-H2O]+ 302.223240 171.3
[M+HCOO]- 364.224181 202.1
[M+CH3COO]- 378.239831 217.3
[M+Na-2H]- 340.200646 181.6
[M]+ 319.22543142 189.2
[M]- 319.22652858 189.2
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.