CID 207192

Ag 276

Structural Information

Molecular Formula
C17H21N3O3
SMILES
CC1=CC(=NN(C1=O)CCN2CCOCC2)C3=CC=CC=C3O
InChI
InChI=1S/C17H21N3O3/c1-13-12-15(14-4-2-3-5-16(14)21)18-20(17(13)22)7-6-19-8-10-23-11-9-19/h2-5,12,21H,6-11H2,1H3
InChIKey
OHUVNDZBYYIWPB-UHFFFAOYSA-N
Compound name
6-(2-hydroxyphenyl)-4-methyl-2-(2-morpholin-4-ylethyl)pyridazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

315.1583 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.16558 176.8
[M+Na]+ 338.14752 183.7
[M-H]- 314.15102 181.4
[M+NH4]+ 333.19212 184.7
[M+K]+ 354.12146 179.5
[M+H-H2O]+ 298.15556 165.5
[M+HCOO]- 360.15650 191.2
[M+CH3COO]- 374.17215 185.9
[M+Na-2H]- 336.13297 179.6
[M]+ 315.15775 175.2
[M]- 315.15885 175.2
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.