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]+ 331.144116 177.9
[M+Na]+ 353.126058 186.8
[M-H]- 329.129564 187.1
[M+NH4]+ 348.170663 194.5
[M+K]+ 369.099998 181.9
[M+H-H2O]+ 313.134100 168.9
[M+HCOO]- 375.135041 199.9
[M+CH3COO]- 389.150691 189.7
[M+Na-2H]- 351.111506 181.1
[M]+ 330.13629142 180.8
[M]- 330.13738858 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