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]+ 246.160096 157.8
[M+Na]+ 268.142038 164.1
[M-H]- 244.145544 161.5
[M+NH4]+ 263.186643 172.1
[M+K]+ 284.115978 160.9
[M+H-H2O]+ 228.150080 148.5
[M+HCOO]- 290.151021 178.3
[M+CH3COO]- 304.166671 197.7
[M+Na-2H]- 266.127486 162.8
[M]+ 245.15227142 157.3
[M]- 245.15336858 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.