CID 12940307

2-(3-aminopropyl)-6-phenylpyridazin-3(2h)-one

Structural Information

Molecular Formula
C13H15N3O
SMILES
C1=CC=C(C=C1)C2=NN(C(=O)C=C2)CCCN
InChI
InChI=1S/C13H15N3O/c14-9-4-10-16-13(17)8-7-12(15-16)11-5-2-1-3-6-11/h1-3,5-8H,4,9-10,14H2
InChIKey
YSPMOKARTYZIID-UHFFFAOYSA-N
Compound name
2-(3-aminopropyl)-6-phenylpyridazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.1215 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.12878 151.7
[M+Na]+ 252.11072 166.2
[M+NH4]+ 247.15532 159.3
[M+K]+ 268.08466 158.6
[M-H]- 228.11422 155.5
[M+Na-2H]- 250.09617 161.0
[M]+ 229.12095 154.8
[M]- 229.12205 154.8
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.