CID 3009997

Oprea1_208451

Structural Information

Molecular Formula
C18H18N4O2
SMILES
COC1=CC2=C(C=C1)N=C(N2)CCC3=NC4=C(N3)C=C(C=C4)OC
InChI
InChI=1S/C18H18N4O2/c1-23-11-3-5-13-15(9-11)21-17(19-13)7-8-18-20-14-6-4-12(24-2)10-16(14)22-18/h3-6,9-10H,7-8H2,1-2H3,(H,19,21)(H,20,22)
InChIKey
PDBAPZIXIBZUIB-UHFFFAOYSA-N
Compound name
6-methoxy-2-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

322.14297 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.15025 175.0
[M+Na]+ 345.13219 186.7
[M-H]- 321.13569 177.7
[M+NH4]+ 340.17679 188.5
[M+K]+ 361.10613 179.6
[M+H-H2O]+ 305.14023 165.9
[M+HCOO]- 367.14117 193.9
[M+CH3COO]- 381.15682 185.9
[M+Na-2H]- 343.11764 178.9
[M]+ 322.14242 180.2
[M]- 322.14352 180.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.