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 165.4
[M+Na]+ 304.09442 176.2
[M-H]- 280.09792 168.9
[M+NH4]+ 299.13902 180.6
[M+K]+ 320.06836 168.0
[M+H-H2O]+ 264.10246 151.7
[M+HCOO]- 326.10340 179.1
[M+CH3COO]- 340.11905 205.9
[M+Na-2H]- 302.07987 165.5
[M]+ 281.10465 159.4
[M]- 281.10575 159.4
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.