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]+ 320.23326 180.2
[M+Na]+ 342.21520 187.5
[M-H]- 318.21870 183.4
[M+NH4]+ 337.25980 195.8
[M+K]+ 358.18914 185.3
[M+H-H2O]+ 302.22324 171.3
[M+HCOO]- 364.22418 202.1
[M+CH3COO]- 378.23983 217.3
[M+Na-2H]- 340.20065 181.6
[M]+ 319.22543 189.2
[M]- 319.22653 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.