CID 296528

Nsc166726

Structural Information

Molecular Formula
C20H22N4O6
SMILES
COC1=C(C=C2C(=C1)NC(=N2)C(C(C3=NC4=CC(=C(C=C4N3)OC)OC)O)O)OC
InChI
InChI=1S/C20H22N4O6/c1-27-13-5-9-10(6-14(13)28-2)22-19(21-9)17(25)18(26)20-23-11-7-15(29-3)16(30-4)8-12(11)24-20/h5-8,17-18,25-26H,1-4H3,(H,21,22)(H,23,24)
InChIKey
HFHQQAYSLVCELG-UHFFFAOYSA-N
Compound name
1,2-bis(5,6-dimethoxy-1H-benzimidazol-2-yl)ethane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

414.15393 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.16121 194.5
[M+Na]+ 437.14315 203.7
[M-H]- 413.14665 195.5
[M+NH4]+ 432.18775 202.7
[M+K]+ 453.11709 199.5
[M+H-H2O]+ 397.15119 186.3
[M+HCOO]- 459.15213 208.1
[M+CH3COO]- 473.16778 218.6
[M+Na-2H]- 435.12860 194.1
[M]+ 414.15338 202.0
[M]- 414.15448 202.0
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.