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]+ 309.159746 171.9
[M+Na]+ 331.141688 177.8
[M-H]- 307.145194 177.2
[M+NH4]+ 326.186293 187.0
[M+K]+ 347.115628 172.3
[M+H-H2O]+ 291.149730 162.3
[M+HCOO]- 353.150671 187.0
[M+CH3COO]- 367.166321 181.5
[M+Na-2H]- 329.127136 175.7
[M]+ 308.15192142 167.9
[M]- 308.15301858 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.