CID 13628104

78473-06-0

Structural Information

Molecular Formula
C20H24N2O3
SMILES
CC(C)(CN1C(=O)C2=C3C(=C(C=C2)OC)C=CC=C3C1=O)CN(C)C
InChI
InChI=1S/C20H24N2O3/c1-20(2,11-21(3)4)12-22-18(23)14-8-6-7-13-16(25-5)10-9-15(17(13)14)19(22)24/h6-10H,11-12H2,1-5H3
InChIKey
XRVZSZJURDQLRU-UHFFFAOYSA-N
Compound name
2-[3-(dimethylamino)-2,2-dimethylpropyl]-6-methoxybenzo[de]isoquinoline-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.17868 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.185956 183.4
[M+Na]+ 363.167898 190.9
[M-H]- 339.171404 187.8
[M+NH4]+ 358.212503 198.7
[M+K]+ 379.141838 188.0
[M+H-H2O]+ 323.175940 175.2
[M+HCOO]- 385.176881 200.2
[M+CH3COO]- 399.192531 223.2
[M+Na-2H]- 361.153346 187.7
[M]+ 340.17813142 188.9
[M]- 340.17922858 188.9
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

No patent data available for this compound.