CID 38754

4,4-diallyl-1,3(2h,4h)-isoquinolinedione

Structural Information

Molecular Formula
C15H15NO2
SMILES
C=CCC1(C2=CC=CC=C2C(=O)NC1=O)CC=C
InChI
InChI=1S/C15H15NO2/c1-3-9-15(10-4-2)12-8-6-5-7-11(12)13(17)16-14(15)18/h3-8H,1-2,9-10H2,(H,16,17,18)
InChIKey
UGXXCYPUVVGNAS-UHFFFAOYSA-N
Compound name
4,4-bis(prop-2-enyl)isoquinoline-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.11028 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.11756 153.6
[M+Na]+ 264.09950 162.3
[M-H]- 240.10300 155.3
[M+NH4]+ 259.14410 172.5
[M+K]+ 280.07344 156.5
[M+H-H2O]+ 224.10754 147.4
[M+HCOO]- 286.10848 171.6
[M+CH3COO]- 300.12413 191.4
[M+Na-2H]- 262.08495 158.6
[M]+ 241.10973 151.8
[M]- 241.11083 151.8
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

No patent data available for this compound.