CID 208816

Ag 253

Structural Information

Molecular Formula
C17H23N3O4
SMILES
CC1(CC(=NN(C1=O)CCN2CCOCC2)C3=CC=C(C=C3)O)O
InChI
InChI=1S/C17H23N3O4/c1-17(23)12-15(13-2-4-14(21)5-3-13)18-20(16(17)22)7-6-19-8-10-24-11-9-19/h2-5,21,23H,6-12H2,1H3
InChIKey
SHFLZBKSLYNVMI-UHFFFAOYSA-N
Compound name
5-hydroxy-3-(4-hydroxyphenyl)-5-methyl-1-(2-morpholin-4-ylethyl)-4H-pyridazin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

333.16885 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.17613 181.5
[M+Na]+ 356.15807 186.8
[M-H]- 332.16157 184.4
[M+NH4]+ 351.20267 189.8
[M+K]+ 372.13201 183.4
[M+H-H2O]+ 316.16611 170.8
[M+HCOO]- 378.16705 191.8
[M+CH3COO]- 392.18270 204.3
[M+Na-2H]- 354.14352 183.3
[M]+ 333.16830 177.2
[M]- 333.16940 177.2
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.