CID 373515

Nsc649916

Structural Information

Molecular Formula
C24H26N4O3
SMILES
CCN1C(=O)C(CC(=N1)C2=CC=C(C=C2)OCC)C3C(=NN(C3=O)C4=CC=CC=C4)C
InChI
InChI=1S/C24H26N4O3/c1-4-27-23(29)20(15-21(26-27)17-11-13-19(14-12-17)31-5-2)22-16(3)25-28(24(22)30)18-9-7-6-8-10-18/h6-14,20,22H,4-5,15H2,1-3H3
InChIKey
KDNOVJQOHLZBDA-UHFFFAOYSA-N
Compound name
6-(4-ethoxyphenyl)-2-ethyl-4-(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)-4,5-dihydropyridazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

418.2005 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.20778 205.4
[M+Na]+ 441.18972 213.2
[M-H]- 417.19322 213.1
[M+NH4]+ 436.23432 211.5
[M+K]+ 457.16366 206.3
[M+H-H2O]+ 401.19776 192.4
[M+HCOO]- 463.19870 220.5
[M+CH3COO]- 477.21435 213.4
[M+Na-2H]- 439.17517 201.5
[M]+ 418.19995 206.3
[M]- 418.20105 206.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.