CID 328773

69408-82-8

Structural Information

Molecular Formula
C18H21N3O2
SMILES
CCN(CC)CCN1C(=O)C2=CC=CC3=CC(=CC(=C32)C1=O)N
InChI
InChI=1S/C18H21N3O2/c1-3-20(4-2)8-9-21-17(22)14-7-5-6-12-10-13(19)11-15(16(12)14)18(21)23/h5-7,10-11H,3-4,8-9,19H2,1-2H3
InChIKey
QDFFNSUDGUZZSJ-UHFFFAOYSA-N
Compound name
5-amino-2-[2-(diethylamino)ethyl]benzo[de]isoquinoline-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

24
Patents

311.1634 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.17068 174.8
[M+Na]+ 334.15262 182.2
[M-H]- 310.15612 178.7
[M+NH4]+ 329.19722 190.7
[M+K]+ 350.12656 178.2
[M+H-H2O]+ 294.16066 166.2
[M+HCOO]- 356.16160 194.2
[M+CH3COO]- 370.17725 219.3
[M+Na-2H]- 332.13807 178.6
[M]+ 311.16285 177.0
[M]- 311.16395 177.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe