CID 6478363

(e)-3-(2-furyl)-1-[1-[2-oxo-2-(p-tolyl)ethyl]benzimidazol-2-yl]prop-2-en-1-one

Structural Information

Molecular Formula
C23H18N2O3
SMILES
CC1=CC=C(C=C1)C(=O)CN2C3=CC=CC=C3N=C2C(=O)/C=C/C4=CC=CO4
InChI
InChI=1S/C23H18N2O3/c1-16-8-10-17(11-9-16)22(27)15-25-20-7-3-2-6-19(20)24-23(25)21(26)13-12-18-5-4-14-28-18/h2-14H,15H2,1H3/b13-12+
InChIKey
UHOLCBPFZIRGQR-OUKQBFOZSA-N
Compound name
(E)-3-(furan-2-yl)-1-[1-[2-(4-methylphenyl)-2-oxoethyl]benzimidazol-2-yl]prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

370.13174 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.13902 189.3
[M+Na]+ 393.12096 198.0
[M-H]- 369.12446 199.0
[M+NH4]+ 388.16556 201.5
[M+K]+ 409.09490 193.1
[M+H-H2O]+ 353.12900 180.2
[M+HCOO]- 415.12994 210.1
[M+CH3COO]- 429.14559 200.2
[M+Na-2H]- 391.10641 188.9
[M]+ 370.13119 194.2
[M]- 370.13229 194.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.