CID 3066689

4h-pyrido(2,1-a)phthalazine-1-carboxamide, 10-chloro-n,n-diethyl-4-oxo-3-phenyl-

Structural Information

Molecular Formula
C23H20ClN3O2
SMILES
CCN(CC)C(=O)C1=C2C3=C(C=CC(=C3)Cl)C=NN2C(=O)C(=C1)C4=CC=CC=C4
InChI
InChI=1S/C23H20ClN3O2/c1-3-26(4-2)22(28)20-13-19(15-8-6-5-7-9-15)23(29)27-21(20)18-12-17(24)11-10-16(18)14-25-27/h5-14H,3-4H2,1-2H3
InChIKey
OALVCDVTGWHBQL-UHFFFAOYSA-N
Compound name
10-chloro-N,N-diethyl-4-oxo-3-phenylpyrido[2,1-a]phthalazine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

405.1244 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.13168 196.7
[M+Na]+ 428.11362 207.3
[M-H]- 404.11712 204.0
[M+NH4]+ 423.15822 208.0
[M+K]+ 444.08756 200.2
[M+H-H2O]+ 388.12166 185.7
[M+HCOO]- 450.12260 212.3
[M+CH3COO]- 464.13825 206.8
[M+Na-2H]- 426.09907 201.6
[M]+ 405.12385 204.0
[M]- 405.12495 204.0
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

patents stripe