CID 3072285

Pyrido(2,1-a)isoindole-1-carboxamide, 4,6-dihydro-n,n-dimethyl-4-oxo-3-phenyl-

Structural Information

Molecular Formula
C21H18N2O2
SMILES
CN(C)C(=O)C1=C2C3=CC=CC=C3CN2C(=O)C(=C1)C4=CC=CC=C4
InChI
InChI=1S/C21H18N2O2/c1-22(2)20(24)18-12-17(14-8-4-3-5-9-14)21(25)23-13-15-10-6-7-11-16(15)19(18)23/h3-12H,13H2,1-2H3
InChIKey
UVBZZOIHBROPPE-UHFFFAOYSA-N
Compound name
N,N-dimethyl-4-oxo-3-phenyl-6H-pyrido[2,1-a]isoindole-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

330.13684 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.14412 177.1
[M+Na]+ 353.12606 192.4
[M+NH4]+ 348.17066 186.0
[M+K]+ 369.10000 186.0
[M-H]- 329.12956 182.7
[M+Na-2H]- 351.11151 185.0
[M]+ 330.13629 181.0
[M]- 330.13739 181.0
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