CID 77162

Brn 0882718

Structural Information

Molecular Formula
C12H15N3O
SMILES
CC1=NN(C(=O)CC1)CCC2=CC=NC=C2
InChI
InChI=1S/C12H15N3O/c1-10-2-3-12(16)15(14-10)9-6-11-4-7-13-8-5-11/h4-5,7-8H,2-3,6,9H2,1H3
InChIKey
NSLJAVZPTLLIER-UHFFFAOYSA-N
Compound name
6-methyl-2-(2-pyridin-4-ylethyl)-4,5-dihydropyridazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

217.1215 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.128776 150.2
[M+Na]+ 240.110718 157.8
[M-H]- 216.114224 152.4
[M+NH4]+ 235.155323 164.4
[M+K]+ 256.084658 154.0
[M+H-H2O]+ 200.118760 140.6
[M+HCOO]- 262.119701 168.7
[M+CH3COO]- 276.135351 188.3
[M+Na-2H]- 238.096166 155.9
[M]+ 217.12095142 148.6
[M]- 217.12204858 148.6
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

patents stripe