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 177.9
[M+Na]+ 353.12606 186.8
[M-H]- 329.12956 187.1
[M+NH4]+ 348.17066 194.5
[M+K]+ 369.10000 181.9
[M+H-H2O]+ 313.13410 168.9
[M+HCOO]- 375.13504 199.9
[M+CH3COO]- 389.15069 189.7
[M+Na-2H]- 351.11151 181.1
[M]+ 330.13629 180.8
[M]- 330.13739 180.8
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