CID 3066688

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

Structural Information

Molecular Formula
C21H16ClN3O2
SMILES
CN(C)C(=O)C1=C2C3=C(C=CC(=C3)Cl)C=NN2C(=O)C(=C1)C4=CC=CC=C4
InChI
InChI=1S/C21H16ClN3O2/c1-24(2)20(26)18-11-17(13-6-4-3-5-7-13)21(27)25-19(18)16-10-15(22)9-8-14(16)12-23-25/h3-12H,1-2H3
InChIKey
KOBBSJVNYLPRTB-UHFFFAOYSA-N
Compound name
10-chloro-N,N-dimethyl-4-oxo-3-phenylpyrido[2,1-a]phthalazine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

377.0931 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.10038 187.4
[M+Na]+ 400.08232 199.0
[M-H]- 376.08582 195.2
[M+NH4]+ 395.12692 199.9
[M+K]+ 416.05626 192.3
[M+H-H2O]+ 360.09036 176.9
[M+HCOO]- 422.09130 203.8
[M+CH3COO]- 436.10695 198.4
[M+Na-2H]- 398.06777 193.4
[M]+ 377.09255 194.1
[M]- 377.09365 194.1
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

patents stripe