CID 204864

17072-81-0

Structural Information

Molecular Formula
C19H19N3O2
SMILES
COC1=NN(C(=O)C=C1)C(CNC2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C19H19N3O2/c1-24-18-12-13-19(23)22(21-18)17(15-8-4-2-5-9-15)14-20-16-10-6-3-7-11-16/h2-13,17,20H,14H2,1H3
InChIKey
LQCJMTSIBLNAFC-UHFFFAOYSA-N
Compound name
2-(2-anilino-1-phenylethyl)-6-methoxypyridazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.14774 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.15502 175.5
[M+Na]+ 344.13696 181.8
[M-H]- 320.14046 182.2
[M+NH4]+ 339.18156 185.8
[M+K]+ 360.11090 176.5
[M+H-H2O]+ 304.14500 164.1
[M+HCOO]- 366.14594 197.2
[M+CH3COO]- 380.16159 185.6
[M+Na-2H]- 342.12241 181.4
[M]+ 321.14719 176.0
[M]- 321.14829 176.0
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.