CID 3024445

95355-13-8

Structural Information

Molecular Formula
C13H15N3O3
SMILES
CC(=O)NC1=CC=C(C=C1)C2=NNC(=O)CC2CO
InChI
InChI=1S/C13H15N3O3/c1-8(18)14-11-4-2-9(3-5-11)13-10(7-17)6-12(19)15-16-13/h2-5,10,17H,6-7H2,1H3,(H,14,18)(H,15,19)
InChIKey
NXGRIOJOPMGCMA-UHFFFAOYSA-N
Compound name
N-[4-[4-(hydroxymethyl)-6-oxo-4,5-dihydro-1H-pyridazin-3-yl]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

261.11133 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.11861 160.0
[M+Na]+ 284.10055 170.8
[M+NH4]+ 279.14515 165.3
[M+K]+ 300.07449 166.1
[M-H]- 260.10405 161.1
[M+Na-2H]- 282.08600 165.0
[M]+ 261.11078 161.4
[M]- 261.11188 161.4
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

patents stripe