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]+ 327.170336 177.9
[M+Na]+ 349.152278 185.4
[M-H]- 325.155784 182.2
[M+NH4]+ 344.196883 193.6
[M+K]+ 365.126218 182.1
[M+H-H2O]+ 309.160320 169.0
[M+HCOO]- 371.161261 196.7
[M+CH3COO]- 385.176911 219.8
[M+Na-2H]- 347.137726 181.7
[M]+ 326.16251142 183.4
[M]- 326.16360858 183.4
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.