CID 3065916

Brn 0288469

Structural Information

Molecular Formula
C17H21N3O
SMILES
CC1=CC(=NN(C1=O)C2CCN(CC2)C)C3=CC=CC=C3
InChI
InChI=1S/C17H21N3O/c1-13-12-16(14-6-4-3-5-7-14)18-20(17(13)21)15-8-10-19(2)11-9-15/h3-7,12,15H,8-11H2,1-2H3
InChIKey
KCKKRVFJCMEJRR-UHFFFAOYSA-N
Compound name
4-methyl-2-(1-methylpiperidin-4-yl)-6-phenylpyridazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.16846 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.175736 169.5
[M+Na]+ 306.157678 177.0
[M-H]- 282.161184 174.7
[M+NH4]+ 301.202283 180.9
[M+K]+ 322.131618 171.3
[M+H-H2O]+ 266.165720 158.2
[M+HCOO]- 328.166661 186.0
[M+CH3COO]- 342.182311 179.5
[M+Na-2H]- 304.143126 172.2
[M]+ 283.16791142 166.2
[M]- 283.16900858 166.2
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.