CID 4182271

4-methyl-6-oxo-1-phenyl-1,6-dihydro-pyridazine-3,5-dicarbonitrile

Structural Information

Molecular Formula
C13H8N4O
SMILES
CC1=C(C(=O)N(N=C1C#N)C2=CC=CC=C2)C#N
InChI
InChI=1S/C13H8N4O/c1-9-11(7-14)13(18)17(16-12(9)8-15)10-5-3-2-4-6-10/h2-6H,1H3
InChIKey
KZTUUGZYKMXTBU-UHFFFAOYSA-N
Compound name
4-methyl-6-oxo-1-phenylpyridazine-3,5-dicarbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.06981 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.07709 160.7
[M+Na]+ 259.05903 171.6
[M-H]- 235.06253 162.9
[M+NH4]+ 254.10363 170.0
[M+K]+ 275.03297 166.5
[M+H-H2O]+ 219.06707 143.0
[M+HCOO]- 281.06801 171.7
[M+CH3COO]- 295.08366 167.5
[M+Na-2H]- 257.04448 162.4
[M]+ 236.06926 152.8
[M]- 236.07036 152.8
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.