CID 54702

81197-76-4

Structural Information

Molecular Formula
C19H22N2O3
SMILES
CCN(CC)CCN1C(=O)C2=CC=CC3=CC(=CC(=C32)C1=O)OC
InChI
InChI=1S/C19H22N2O3/c1-4-20(5-2)9-10-21-18(22)15-8-6-7-13-11-14(24-3)12-16(17(13)15)19(21)23/h6-8,11-12H,4-5,9-10H2,1-3H3
InChIKey
DYHQQWXATKIWCM-UHFFFAOYSA-N
Compound name
2-[2-(diethylamino)ethyl]-5-methoxybenzo[de]isoquinoline-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.16306 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.17034 176.7
[M+Na]+ 349.15228 189.9
[M+NH4]+ 344.19688 184.4
[M+K]+ 365.12622 182.2
[M-H]- 325.15578 179.3
[M+Na-2H]- 347.13773 180.4
[M]+ 326.16251 179.3
[M]- 326.16361 179.3
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.