CID 208748

32929-22-9

Structural Information

Molecular Formula
C12H13N3O
SMILES
CN(C)C1=NN(C(=O)C=C1)C2=CC=CC=C2
InChI
InChI=1S/C12H13N3O/c1-14(2)11-8-9-12(16)15(13-11)10-6-4-3-5-7-10/h3-9H,1-2H3
InChIKey
OGGVYFZQKOAMSL-UHFFFAOYSA-N
Compound name
6-(dimethylamino)-2-phenylpyridazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

67
Patents

215.10587 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.113146 146.1
[M+Na]+ 238.095088 155.1
[M-H]- 214.098594 152.0
[M+NH4]+ 233.139693 162.4
[M+K]+ 254.069028 152.4
[M+H-H2O]+ 198.103130 137.0
[M+HCOO]- 260.104071 170.5
[M+CH3COO]- 274.119721 193.2
[M+Na-2H]- 236.080536 153.7
[M]+ 215.10532142 147.5
[M]- 215.10641858 147.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe