CID 118409

33209-23-3

Structural Information

Molecular Formula
C19H20N2O2
SMILES
CN1C(=O)C2=C3C(=C(C=C2)NC4CCCCC4)C=CC=C3C1=O
InChI
InChI=1S/C19H20N2O2/c1-21-18(22)14-9-5-8-13-16(20-12-6-3-2-4-7-12)11-10-15(17(13)14)19(21)23/h5,8-12,20H,2-4,6-7H2,1H3
InChIKey
TWMKDWSXWYHBGQ-UHFFFAOYSA-N
Compound name
6-(cyclohexylamino)-2-methylbenzo[de]isoquinoline-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.15247 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.15975 171.9
[M+Na]+ 331.14169 177.8
[M-H]- 307.14519 177.2
[M+NH4]+ 326.18629 187.0
[M+K]+ 347.11563 172.3
[M+H-H2O]+ 291.14973 162.3
[M+HCOO]- 353.15067 187.0
[M+CH3COO]- 367.16632 181.5
[M+Na-2H]- 329.12714 175.7
[M]+ 308.15192 167.9
[M]- 308.15302 167.9
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.