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]+ 366.18123 188.3
[M+Na]+ 388.16317 194.9
[M-H]- 364.16667 194.1
[M+NH4]+ 383.20777 198.9
[M+K]+ 404.13711 190.8
[M+H-H2O]+ 348.17121 177.0
[M+HCOO]- 410.17215 208.6
[M+CH3COO]- 424.18780 222.5
[M+Na-2H]- 386.14862 192.3
[M]+ 365.17340 193.1
[M]- 365.17450 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.