CID 6478364

(e)-1-[1-[2-(4-methoxyphenyl)-2-oxo-ethyl]benzimidazol-2-yl]-3-(2-thienyl)prop-2-en-1-one

Structural Information

Molecular Formula
C23H18N2O3S
SMILES
COC1=CC=C(C=C1)C(=O)CN2C3=CC=CC=C3N=C2C(=O)/C=C/C4=CC=CS4
InChI
InChI=1S/C23H18N2O3S/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
WBYIDAKLLSFKKG-OUKQBFOZSA-N
Compound name
(E)-1-[1-[2-(4-methoxyphenyl)-2-oxoethyl]benzimidazol-2-yl]-3-thiophen-2-ylprop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

402.10382 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.11110 198.2
[M+Na]+ 425.09304 207.5
[M-H]- 401.09654 207.7
[M+NH4]+ 420.13764 211.4
[M+K]+ 441.06698 201.4
[M+H-H2O]+ 385.10108 189.9
[M+HCOO]- 447.10202 215.5
[M+CH3COO]- 461.11767 208.6
[M+Na-2H]- 423.07849 195.4
[M]+ 402.10327 205.3
[M]- 402.10437 205.3
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.