CID 3008662

An-890/14589051

Structural Information

Molecular Formula
C29H24N2O3
SMILES
COC(=O)C1=CC2=C(C=C1)N(C(=N2)C3=CC=C(C=C3)OCC4=CC=CC=C4)CC5=CC=CC=C5
InChI
InChI=1S/C29H24N2O3/c1-33-29(32)24-14-17-27-26(18-24)30-28(31(27)19-21-8-4-2-5-9-21)23-12-15-25(16-13-23)34-20-22-10-6-3-7-11-22/h2-18H,19-20H2,1H3
InChIKey
NBACVQXHBUPVJK-UHFFFAOYSA-N
Compound name
methyl 1-benzyl-2-(4-phenylmethoxyphenyl)benzimidazole-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

448.17868 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 449.18596 212.0
[M+Na]+ 471.16790 219.4
[M-H]- 447.17140 223.1
[M+NH4]+ 466.21250 219.7
[M+K]+ 487.14184 212.1
[M+H-H2O]+ 431.17594 199.0
[M+HCOO]- 493.17688 231.9
[M+CH3COO]- 507.19253 220.6
[M+Na-2H]- 469.15335 213.2
[M]+ 448.17813 216.2
[M]- 448.17923 216.2
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.