CID 44147142

94200-38-1

Structural Information

Molecular Formula
C18H20N2O3
SMILES
CC(C)(CN)CN1C(=O)C2=C3C(=C(C=C2)OC)C=CC=C3C1=O
InChI
InChI=1S/C18H20N2O3/c1-18(2,9-19)10-20-16(21)12-6-4-5-11-14(23-3)8-7-13(15(11)12)17(20)22/h4-8H,9-10,19H2,1-3H3
InChIKey
OAXARIFQDZZRGL-UHFFFAOYSA-N
Compound name
2-(3-amino-2,2-dimethylpropyl)-6-methoxybenzo[de]isoquinoline-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.1474 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.154676 175.8
[M+Na]+ 335.136618 184.2
[M-H]- 311.140124 178.7
[M+NH4]+ 330.181223 191.5
[M+K]+ 351.110558 180.0
[M+H-H2O]+ 295.144660 168.3
[M+HCOO]- 357.145601 192.3
[M+CH3COO]- 371.161251 213.5
[M+Na-2H]- 333.122066 180.8
[M]+ 312.14685142 178.5
[M]- 312.14794858 178.5
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.