CID 24212683

853317-60-9

Structural Information

Molecular Formula
C29H25ClN2O3
SMILES
CCOC(=O)C1=C2N(C3=C(N2C(=C1)C(=O)C4=CC=C(C=C4)Cl)C=C(C(=C3)C)C)CC5=CC=CC=C5
InChI
InChI=1S/C29H25ClN2O3/c1-4-35-29(34)23-16-26(27(33)21-10-12-22(30)13-11-21)32-25-15-19(3)18(2)14-24(25)31(28(23)32)17-20-8-6-5-7-9-20/h5-16H,4,17H2,1-3H3
InChIKey
HPRIEPJNAXPFSL-UHFFFAOYSA-N
Compound name
ethyl 4-benzyl-1-(4-chlorobenzoyl)-6,7-dimethylpyrrolo[1,2-a]benzimidazole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

484.15536 Da
Monoisotopic Mass

7.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 485.162636 222.0
[M+Na]+ 507.144578 233.5
[M-H]- 483.148084 232.8
[M+NH4]+ 502.189183 233.5
[M+K]+ 523.118518 225.4
[M+H-H2O]+ 467.152620 212.2
[M+HCOO]- 529.153561 237.4
[M+CH3COO]- 543.169211 231.6
[M+Na-2H]- 505.130026 218.0
[M]+ 484.15481142 232.8
[M]- 484.15590858 232.8
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.