CID 87935

2-butyl-6-(butylamino)-1h-benzo[de]isoquinoline-1,3(2h)-dione

Structural Information

Molecular Formula
C20H24N2O2
SMILES
CCCCNC1=C2C=CC=C3C2=C(C=C1)C(=O)N(C3=O)CCCC
InChI
InChI=1S/C20H24N2O2/c1-3-5-12-21-17-11-10-16-18-14(17)8-7-9-15(18)19(23)22(20(16)24)13-6-4-2/h7-11,21H,3-6,12-13H2,1-2H3
InChIKey
DXWHZJXKTHGHQF-UHFFFAOYSA-N
Compound name
2-butyl-6-(butylamino)benzo[de]isoquinoline-1,3-dione
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

8
References

893
Patents

324.18378 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.191056 179.7
[M+Na]+ 347.172998 186.9
[M-H]- 323.176504 182.3
[M+NH4]+ 342.217603 195.0
[M+K]+ 363.146938 181.3
[M+H-H2O]+ 307.181040 171.0
[M+HCOO]- 369.181981 197.5
[M+CH3COO]- 383.197631 217.3
[M+Na-2H]- 345.158446 183.5
[M]+ 324.18323142 182.9
[M]- 324.18432858 182.9
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