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]+ 286.191376 169.1
[M+Na]+ 308.173318 176.8
[M-H]- 284.176824 174.5
[M+NH4]+ 303.217923 182.8
[M+K]+ 324.147258 172.9
[M+H-H2O]+ 268.181360 159.2
[M+HCOO]- 330.182301 191.7
[M+CH3COO]- 344.197951 209.3
[M+Na-2H]- 306.158766 173.2
[M]+ 285.18355142 172.7
[M]- 285.18464858 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.