CID 3010015

1h-benzimidazol-5-ol, 2,2'-(1,2-ethanediyl)bis-

Structural Information

Molecular Formula
C16H14N4O2
SMILES
C1=CC2=C(C=C1O)NC(=N2)CCC3=NC4=C(N3)C=C(C=C4)O
InChI
InChI=1S/C16H14N4O2/c21-9-1-3-11-13(7-9)19-15(17-11)5-6-16-18-12-4-2-10(22)8-14(12)20-16/h1-4,7-8,21-22H,5-6H2,(H,17,19)(H,18,20)
InChIKey
CXRMYCDIRMRIPL-UHFFFAOYSA-N
Compound name
2-[2-(6-hydroxy-1H-benzimidazol-2-yl)ethyl]-3H-benzimidazol-5-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

294.11166 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.11894 165.8
[M+Na]+ 317.10088 177.7
[M-H]- 293.10438 166.4
[M+NH4]+ 312.14548 179.2
[M+K]+ 333.07482 169.5
[M+H-H2O]+ 277.10892 157.9
[M+HCOO]- 339.10986 182.6
[M+CH3COO]- 353.12551 176.4
[M+Na-2H]- 315.08633 170.2
[M]+ 294.11111 167.1
[M]- 294.11221 167.1
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.