CID 120442

2-(2-(dimethylamino)ethyl)-6-phenyl-3(2h)-pyridazone hydrochloride

Structural Information

Molecular Formula
C14H19N3O
SMILES
CN(C)CCN1C(C=CC(=N1)C2=CC=CC=C2)O
InChI
InChI=1S/C14H19N3O/c1-16(2)10-11-17-14(18)9-8-13(15-17)12-6-4-3-5-7-12/h3-9,14,18H,10-11H2,1-2H3
InChIKey
LMDOVHPHUSUUHD-UHFFFAOYSA-N
Compound name
2-[2-(dimethylamino)ethyl]-6-phenyl-3H-pyridazin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.15282 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.16010 157.8
[M+Na]+ 268.14204 164.1
[M-H]- 244.14554 161.5
[M+NH4]+ 263.18664 172.1
[M+K]+ 284.11598 160.9
[M+H-H2O]+ 228.15008 148.5
[M+HCOO]- 290.15102 178.3
[M+CH3COO]- 304.16667 197.7
[M+Na-2H]- 266.12749 162.8
[M]+ 245.15227 157.3
[M]- 245.15337 157.3
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.