CID 165478575

2770359-90-3

Structural Information

Molecular Formula
C16H25N3O4
SMILES
COCCOCCN1C2=CC(=C(C=C2N=C1CCN)OC)OC
InChI
InChI=1S/C16H25N3O4/c1-20-8-9-23-7-6-19-13-11-15(22-3)14(21-2)10-12(13)18-16(19)4-5-17/h10-11H,4-9,17H2,1-3H3
InChIKey
JRDLUBMXNAGLBT-UHFFFAOYSA-N
Compound name
2-[5,6-dimethoxy-1-[2-(2-methoxyethoxy)ethyl]benzimidazol-2-yl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.1845 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.19178 175.6
[M+Na]+ 346.17372 184.5
[M-H]- 322.17722 177.5
[M+NH4]+ 341.21832 190.3
[M+K]+ 362.14766 181.8
[M+H-H2O]+ 306.18176 167.0
[M+HCOO]- 368.18270 198.4
[M+CH3COO]- 382.19835 212.0
[M+Na-2H]- 344.15917 178.5
[M]+ 323.18395 185.5
[M]- 323.18505 185.5
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.