CID 3010010

2,2'-butane-2,3-diylbis(5-methoxy-1h-benzimidazole)

Structural Information

Molecular Formula
C20H22N4O2
SMILES
CC(C1=NC2=C(N1)C=C(C=C2)OC)C(C)C3=NC4=C(N3)C=C(C=C4)OC
InChI
InChI=1S/C20H22N4O2/c1-11(19-21-15-7-5-13(25-3)9-17(15)23-19)12(2)20-22-16-8-6-14(26-4)10-18(16)24-20/h5-12H,1-4H3,(H,21,23)(H,22,24)
InChIKey
LPGJMBYJNLQCPJ-UHFFFAOYSA-N
Compound name
6-methoxy-2-[3-(6-methoxy-1H-benzimidazol-2-yl)butan-2-yl]-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

350.1743 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.18158 184.4
[M+Na]+ 373.16352 194.4
[M-H]- 349.16702 187.1
[M+NH4]+ 368.20812 196.7
[M+K]+ 389.13746 188.1
[M+H-H2O]+ 333.17156 175.4
[M+HCOO]- 395.17250 200.7
[M+CH3COO]- 409.18815 194.2
[M+Na-2H]- 371.14897 185.2
[M]+ 350.17375 189.2
[M]- 350.17485 189.2
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.