CID 5471212

Nsc709474

Structural Information

Molecular Formula
C23H18N2O4
SMILES
COC1=CC=C(C=C1)C(=O)CN2C3=CC=CC=C3N=C2C(=O)/C=C/C4=CC=CO4
InChI
InChI=1S/C23H18N2O4/c1-28-17-10-8-16(9-11-17)22(27)15-25-20-7-3-2-6-19(20)24-23(25)21(26)13-12-18-5-4-14-29-18/h2-14H,15H2,1H3/b13-12+
InChIKey
AWSZJALLOMQCJH-OUKQBFOZSA-N
Compound name
(E)-3-(furan-2-yl)-1-[1-[2-(4-methoxyphenyl)-2-oxoethyl]benzimidazol-2-yl]prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

386.12665 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.13393 191.9
[M+Na]+ 409.11587 200.3
[M-H]- 385.11937 201.6
[M+NH4]+ 404.16047 203.2
[M+K]+ 425.08981 196.1
[M+H-H2O]+ 369.12391 182.6
[M+HCOO]- 431.12485 212.8
[M+CH3COO]- 445.14050 202.6
[M+Na-2H]- 407.10132 191.6
[M]+ 386.12610 198.0
[M]- 386.12720 198.0
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.