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 214.1
[M+Na]+ 473.18356 223.9
[M-H]- 449.18706 224.8
[M+NH4]+ 468.22816 225.7
[M+K]+ 489.15750 217.0
[M+H-H2O]+ 433.19160 204.0
[M+HCOO]- 495.19254 234.1
[M+CH3COO]- 509.20819 223.9
[M+Na-2H]- 471.16901 211.4
[M]+ 450.19379 222.0
[M]- 450.19489 222.0
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.