CID 3040456

Tm 3 (pharmaceutical)

Structural Information

Molecular Formula
C17H24N4O2
SMILES
CCOC1=NN(C(=O)C(=C1)NCCCN(C)C)C2=CC=CC=C2
InChI
InChI=1S/C17H24N4O2/c1-4-23-16-13-15(18-11-8-12-20(2)3)17(22)21(19-16)14-9-6-5-7-10-14/h5-7,9-10,13,18H,4,8,11-12H2,1-3H3
InChIKey
NPLXVIHYCRBJMB-UHFFFAOYSA-N
Compound name
4-[3-(dimethylamino)propylamino]-6-ethoxy-2-phenylpyridazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.1899 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.19718 176.2
[M+Na]+ 339.17912 182.7
[M-H]- 315.18262 181.5
[M+NH4]+ 334.22372 188.1
[M+K]+ 355.15306 179.4
[M+H-H2O]+ 299.18716 165.5
[M+HCOO]- 361.18810 199.9
[M+CH3COO]- 375.20375 216.5
[M+Na-2H]- 337.16457 180.7
[M]+ 316.18935 180.4
[M]- 316.19045 180.4
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.