CID 9266906

924428-63-7

Structural Information

Molecular Formula
C20H19N3O2
SMILES
CC1=CC(=C(N1CC2=CC=CO2)C)C(=O)CN3C=NC4=CC=CC=C43
InChI
InChI=1S/C20H19N3O2/c1-14-10-17(15(2)23(14)11-16-6-5-9-25-16)20(24)12-22-13-21-18-7-3-4-8-19(18)22/h3-10,13H,11-12H2,1-2H3
InChIKey
AMXRQAOJRGHLBR-UHFFFAOYSA-N
Compound name
2-(benzimidazol-1-yl)-1-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

333.14774 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.15502 177.7
[M+Na]+ 356.13696 189.3
[M-H]- 332.14046 187.7
[M+NH4]+ 351.18156 192.8
[M+K]+ 372.11090 185.3
[M+H-H2O]+ 316.14500 169.6
[M+HCOO]- 378.14594 201.0
[M+CH3COO]- 392.16159 190.6
[M+Na-2H]- 354.12241 177.1
[M]+ 333.14719 185.7
[M]- 333.14829 185.7
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.