CID 3010013

1h-benzimidazole, 2,2'-[(1r,2s)-1,2-cyclobutanediyl]bis[5-methoxy-

Structural Information

Molecular Formula
C20H20N4O2
SMILES
COC1=CC2=C(C=C1)N=C(N2)[C@@H]3CC[C@@H]3C4=NC5=C(N4)C=C(C=C5)OC
InChI
InChI=1S/C20H20N4O2/c1-25-11-3-7-15-17(9-11)23-19(21-15)13-5-6-14(13)20-22-16-8-4-12(26-2)10-18(16)24-20/h3-4,7-10,13-14H,5-6H2,1-2H3,(H,21,23)(H,22,24)/t13-,14+
InChIKey
SPVJNWMFVRUPET-OKILXGFUSA-N
Compound name
6-methoxy-2-[(1R,2S)-2-(6-methoxy-1H-benzimidazol-2-yl)cyclobutyl]-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

348.15863 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.16591 179.4
[M+Na]+ 371.14785 189.0
[M-H]- 347.15135 184.7
[M+NH4]+ 366.19245 185.5
[M+K]+ 387.12179 184.9
[M+H-H2O]+ 331.15589 165.0
[M+HCOO]- 393.15683 195.7
[M+CH3COO]- 407.17248 189.1
[M+Na-2H]- 369.13330 180.7
[M]+ 348.15808 191.1
[M]- 348.15918 191.1
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.