CID 215317

35451-63-9

Structural Information

Molecular Formula
C13H15N3O
SMILES
CCN(C)C1=NN(C(=O)C=C1)C2=CC=CC=C2
InChI
InChI=1S/C13H15N3O/c1-3-15(2)12-9-10-13(17)16(14-12)11-7-5-4-6-8-11/h4-10H,3H2,1-2H3
InChIKey
BTGNTTUJFLLIOF-UHFFFAOYSA-N
Compound name
6-[ethyl(methyl)amino]-2-phenylpyridazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.1215 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.128776 150.7
[M+Na]+ 252.110718 159.2
[M-H]- 228.114224 156.5
[M+NH4]+ 247.155323 166.4
[M+K]+ 268.084658 156.3
[M+H-H2O]+ 212.118760 141.4
[M+HCOO]- 274.119701 174.7
[M+CH3COO]- 288.135351 196.2
[M+Na-2H]- 250.096166 157.8
[M]+ 229.12095142 152.5
[M]- 229.12204858 152.5
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

No patent data available for this compound.