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 159.6
[M+Na]+ 284.10055 165.8
[M-H]- 260.10405 161.0
[M+NH4]+ 279.14515 171.8
[M+K]+ 300.07449 161.4
[M+H-H2O]+ 244.10859 151.1
[M+HCOO]- 306.10953 176.8
[M+CH3COO]- 320.12518 193.6
[M+Na-2H]- 282.08600 162.5
[M]+ 261.11078 155.5
[M]- 261.11188 155.5
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