CID 296504

Nsc166684

Structural Information

Molecular Formula
C20H22N4O5
SMILES
COC1=C(C=C2C(=C1)NC(=N2)CC(C3=NC4=CC(=C(C=C4N3)OC)OC)O)OC
InChI
InChI=1S/C20H22N4O5/c1-26-15-5-10-11(6-16(15)27-2)22-19(21-10)9-14(25)20-23-12-7-17(28-3)18(29-4)8-13(12)24-20/h5-8,14,25H,9H2,1-4H3,(H,21,22)(H,23,24)
InChIKey
UKACQCIHNUQGLS-UHFFFAOYSA-N
Compound name
1,2-bis(5,6-dimethoxy-1H-benzimidazol-2-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

398.15903 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.16631 192.9
[M+Na]+ 421.14825 203.4
[M-H]- 397.15175 195.0
[M+NH4]+ 416.19285 202.6
[M+K]+ 437.12219 198.2
[M+H-H2O]+ 381.15629 184.2
[M+HCOO]- 443.15723 208.9
[M+CH3COO]- 457.17288 202.1
[M+Na-2H]- 419.13370 193.5
[M]+ 398.15848 201.3
[M]- 398.15958 201.3
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.