CID 203047

N-allyl-2',6'-dimethyl-2',3',5',6'-tetrahydro(4'-spiro-alpha)pyranohomophthalimide

Structural Information

Molecular Formula
C18H21NO3
SMILES
CC1CC2(CC(O1)C)C3=CC=CC=C3C(=O)N(C2=O)CC=C
InChI
InChI=1S/C18H21NO3/c1-4-9-19-16(20)14-7-5-6-8-15(14)18(17(19)21)10-12(2)22-13(3)11-18/h4-8,12-13H,1,9-11H2,2-3H3
InChIKey
QYVUKOVUHWDWAD-UHFFFAOYSA-N
Compound name
2',6'-dimethyl-2-prop-2-enylspiro[isoquinoline-4,4'-oxane]-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.15213 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.15941 169.2
[M+Na]+ 322.14135 177.5
[M-H]- 298.14485 174.8
[M+NH4]+ 317.18595 185.5
[M+K]+ 338.11529 173.9
[M+H-H2O]+ 282.14939 161.3
[M+HCOO]- 344.15033 183.6
[M+CH3COO]- 358.16598 206.0
[M+Na-2H]- 320.12680 172.3
[M]+ 299.15158 167.6
[M]- 299.15268 167.6
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.