CID 102322

Deaempp

Structural Information

Molecular Formula
C17H23N3O
SMILES
CCN(CC)CCN1C(=O)C(=CC(=N1)C2=CC=CC=C2)C
InChI
InChI=1S/C17H23N3O/c1-4-19(5-2)11-12-20-17(21)14(3)13-16(18-20)15-9-7-6-8-10-15/h6-10,13H,4-5,11-12H2,1-3H3
InChIKey
BTYBEPYJFRDGLP-UHFFFAOYSA-N
Compound name
2-[2-(diethylamino)ethyl]-4-methyl-6-phenylpyridazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.1841 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.19138 169.1
[M+Na]+ 308.17332 176.8
[M-H]- 284.17682 174.5
[M+NH4]+ 303.21792 182.8
[M+K]+ 324.14726 172.9
[M+H-H2O]+ 268.18136 159.2
[M+HCOO]- 330.18230 191.7
[M+CH3COO]- 344.19795 209.3
[M+Na-2H]- 306.15877 173.2
[M]+ 285.18355 172.7
[M]- 285.18465 172.7
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.