CID 24212899

853334-43-7

Structural Information

Molecular Formula
C29H25FN2O3
SMILES
CCOC(=O)C1=C2N(C3=C(N2C(=C1)C(=O)C4=CC=C(C=C4)F)C=C(C(=C3)C)C)CC5=CC=CC=C5
InChI
InChI=1S/C29H25FN2O3/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
JKPZUIYDJUKLKG-UHFFFAOYSA-N
Compound name
ethyl 4-benzyl-1-(4-fluorobenzoyl)-6,7-dimethylpyrrolo[1,2-a]benzimidazole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

468.1849 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 469.19218 217.6
[M+Na]+ 491.17412 228.3
[M-H]- 467.17762 227.3
[M+NH4]+ 486.21872 228.7
[M+K]+ 507.14806 220.9
[M+H-H2O]+ 451.18216 206.7
[M+HCOO]- 513.18310 236.5
[M+CH3COO]- 527.19875 227.0
[M+Na-2H]- 489.15957 213.5
[M]+ 468.18435 225.0
[M]- 468.18545 225.0
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.