CID 44230662

Mk-8617

Structural Information

Molecular Formula
C24H21N5O4
SMILES
COC1=CC=C(C=C1)C(C2=CC=C(C=C2)OC)NC(=O)C3=CN=C(NC3=O)C4=NN=CC=C4
InChI
InChI=1S/C24H21N5O4/c1-32-17-9-5-15(6-10-17)21(16-7-11-18(33-2)12-8-16)27-23(30)19-14-25-22(28-24(19)31)20-4-3-13-26-29-20/h3-14,21H,1-2H3,(H,27,30)(H,25,28,31)
InChIKey
WXLPERVDMILVIF-UHFFFAOYSA-N
Compound name
N-[bis(4-methoxyphenyl)methyl]-6-oxo-2-pyridazin-3-yl-1H-pyrimidine-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

31
Patents

443.15936 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 444.16664 205.5
[M+Na]+ 466.14858 221.2
[M+NH4]+ 461.19318 209.3
[M+K]+ 482.12252 214.5
[M-H]- 442.15208 210.8
[M+Na-2H]- 464.13403 216.3
[M]+ 443.15881 209.1
[M]- 443.15991 209.1
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