CID 6419753

301836-43-1

Structural Information

Molecular Formula
C23H18N4O3
SMILES
C1COC2=C(O1)C=CC(=C2)C3=C(NC(=N3)C4=CC=C(C=C4)C(=O)N)C5=CC=CC=N5
InChI
InChI=1S/C23H18N4O3/c24-22(28)14-4-6-15(7-5-14)23-26-20(21(27-23)17-3-1-2-10-25-17)16-8-9-18-19(13-16)30-12-11-29-18/h1-10,13H,11-12H2,(H2,24,28)(H,26,27)
InChIKey
DPDZHVCKYBCJHW-UHFFFAOYSA-N
Compound name
4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-pyridin-2-yl-1H-imidazol-2-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

48
References

607
Patents

398.13788 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.14516 194.6
[M+Na]+ 421.12710 201.2
[M-H]- 397.13060 203.9
[M+NH4]+ 416.17170 199.1
[M+K]+ 437.10104 196.1
[M+H-H2O]+ 381.13514 182.7
[M+HCOO]- 443.13608 208.5
[M+CH3COO]- 457.15173 202.6
[M+Na-2H]- 419.11255 196.4
[M]+ 398.13733 191.9
[M]- 398.13843 191.9
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

patents stripe