CID 210207

21131-13-5

Structural Information

Molecular Formula
C21H23N3O3
SMILES
CCN(CC)CCOC(=O)C1=NN(C(=O)C2=CC=CC=C21)C3=CC=CC=C3
InChI
InChI=1S/C21H23N3O3/c1-3-23(4-2)14-15-27-21(26)19-17-12-8-9-13-18(17)20(25)24(22-19)16-10-6-5-7-11-16/h5-13H,3-4,14-15H2,1-2H3
InChIKey
KVYJDFYVRYVZSF-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl 4-oxo-3-phenylphthalazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

365.17395 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.181226 188.3
[M+Na]+ 388.163168 194.9
[M-H]- 364.166674 194.1
[M+NH4]+ 383.207773 198.9
[M+K]+ 404.137108 190.8
[M+H-H2O]+ 348.171210 177.0
[M+HCOO]- 410.172151 208.6
[M+CH3COO]- 424.187801 222.5
[M+Na-2H]- 386.148616 192.3
[M]+ 365.17340142 193.1
[M]- 365.17449858 193.1
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.