CID 3010011

1h-benzimidazole, 5-methoxy-2-[2-(5-methoxy-1h-benzimidazol-2-yl)-1,1-dimethylethyl]-

Structural Information

Molecular Formula
C20H22N4O2
SMILES
CC(C)(CC1=NC2=C(N1)C=C(C=C2)OC)C3=NC4=C(N3)C=C(C=C4)OC
InChI
InChI=1S/C20H22N4O2/c1-20(2,19-23-15-8-6-13(26-4)10-17(15)24-19)11-18-21-14-7-5-12(25-3)9-16(14)22-18/h5-10H,11H2,1-4H3,(H,21,22)(H,23,24)
InChIKey
KLVFKQHZKHGDDB-UHFFFAOYSA-N
Compound name
6-methoxy-2-[1-(6-methoxy-1H-benzimidazol-2-yl)-2-methylpropan-2-yl]-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

350.1743 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.18158 187.0
[M+Na]+ 373.16352 198.0
[M-H]- 349.16702 189.8
[M+NH4]+ 368.20812 199.5
[M+K]+ 389.13746 191.2
[M+H-H2O]+ 333.17156 178.3
[M+HCOO]- 395.17250 203.5
[M+CH3COO]- 409.18815 197.0
[M+Na-2H]- 371.14897 190.7
[M]+ 350.17375 192.4
[M]- 350.17485 192.4
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.