CID 4521392

301836-41-9

Structural Information

Molecular Formula
C22H16N4O3
SMILES
C1OC2=C(O1)C=C(C=C2)C3=C(NC(=N3)C4=CC=C(C=C4)C(=O)N)C5=CC=CC=N5
InChI
InChI=1S/C22H16N4O3/c23-21(27)13-4-6-14(7-5-13)22-25-19(20(26-22)16-3-1-2-10-24-16)15-8-9-17-18(11-15)29-12-28-17/h1-11H,12H2,(H2,23,27)(H,25,26)
InChIKey
FHYUGAJXYORMHI-UHFFFAOYSA-N
Compound name
4-[4-(1,3-benzodioxol-5-yl)-5-pyridin-2-yl-1H-imidazol-2-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

631
References

1794
Patents

384.12225 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.12953 189.8
[M+Na]+ 407.11147 204.7
[M+NH4]+ 402.15607 196.2
[M+K]+ 423.08541 202.4
[M-H]- 383.11497 198.6
[M+Na-2H]- 405.09692 197.7
[M]+ 384.12170 194.4
[M]- 384.12280 194.4
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