CID 41511

N-(4-propargiloksy)-fenylo imid kwasu 1,2,3,6-tetrahydroftalowego [polish]

Structural Information

Molecular Formula
C17H15NO3
SMILES
C#CCOC1=CC=C(C=C1)N2C(=O)C3CC=CCC3C2=O
InChI
InChI=1S/C17H15NO3/c1-2-11-21-13-9-7-12(8-10-13)18-16(19)14-5-3-4-6-15(14)17(18)20/h1,3-4,7-10,14-15H,5-6,11H2
InChIKey
TZONHHXEGSUDFB-UHFFFAOYSA-N
Compound name
2-(4-prop-2-ynoxyphenyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.1052 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.11248 166.1
[M+Na]+ 304.09442 178.3
[M+NH4]+ 299.13902 170.2
[M+K]+ 320.06836 169.6
[M-H]- 280.09792 160.6
[M+Na-2H]- 302.07987 167.7
[M]+ 281.10465 165.3
[M]- 281.10575 165.3
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.