CID 485816

Schembl14599557

Structural Information

Molecular Formula
C23H20N6O
SMILES
CCOC1=CC=C(C=C1)C2=NC3=C(N2)C=C(C=C3)C4=NC5=C(N4)C=C(C=C5)C(=N)N
InChI
InChI=1S/C23H20N6O/c1-2-30-16-7-3-13(4-8-16)22-26-18-10-6-15(12-20(18)28-22)23-27-17-9-5-14(21(24)25)11-19(17)29-23/h3-12H,2H2,1H3,(H3,24,25)(H,26,28)(H,27,29)
InChIKey
AWTHWHZUWRCZDE-UHFFFAOYSA-N
Compound name
2-[2-(4-ethoxyphenyl)-3H-benzimidazol-5-yl]-3H-benzimidazole-5-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

396.16986 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.17714 191.1
[M+Na]+ 419.15908 200.8
[M-H]- 395.16258 197.1
[M+NH4]+ 414.20368 200.3
[M+K]+ 435.13302 191.6
[M+H-H2O]+ 379.16712 181.0
[M+HCOO]- 441.16806 210.1
[M+CH3COO]- 455.18371 200.0
[M+Na-2H]- 417.14453 194.2
[M]+ 396.16931 191.5
[M]- 396.17041 191.5
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

patents stripe