CID 24212682

853317-58-5

Structural Information

Molecular Formula
C29H26N2O3
SMILES
CCOC(=O)C1=C2N(C3=C(N2C(=C1)C(=O)C4=CC=CC=C4)C=C(C(=C3)C)C)CC5=CC=CC=C5
InChI
InChI=1S/C29H26N2O3/c1-4-34-29(33)23-17-26(27(32)22-13-9-6-10-14-22)31-25-16-20(3)19(2)15-24(25)30(28(23)31)18-21-11-7-5-8-12-21/h5-17H,4,18H2,1-3H3
InChIKey
IXODYOPVCKSGJW-UHFFFAOYSA-N
Compound name
ethyl 1-benzoyl-4-benzyl-6,7-dimethylpyrrolo[1,2-a]benzimidazole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

450.19434 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 451.20162 211.6
[M+Na]+ 473.18356 228.5
[M+NH4]+ 468.22816 218.7
[M+K]+ 489.15750 223.0
[M-H]- 449.18706 217.5
[M+Na-2H]- 471.16901 219.4
[M]+ 450.19379 215.9
[M]- 450.19489 215.9
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.