CID 5272870

3-methylbut-2-enyl 3-(1,3-dioxoisoindolin-2-yl)-3-(3-methoxyphenyl)propanoate

Structural Information

Molecular Formula
C23H23NO5
SMILES
CC(=CCOC(=O)CC(C1=CC(=CC=C1)OC)N2C(=O)C3=CC=CC=C3C2=O)C
InChI
InChI=1S/C23H23NO5/c1-15(2)11-12-29-21(25)14-20(16-7-6-8-17(13-16)28-3)24-22(26)18-9-4-5-10-19(18)23(24)27/h4-11,13,20H,12,14H2,1-3H3
InChIKey
PDWIIMBJFIZLSC-UHFFFAOYSA-N
Compound name
3-methylbut-2-enyl 3-(1,3-dioxoisoindol-2-yl)-3-(3-methoxyphenyl)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

393.15762 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.16490 194.2
[M+Na]+ 416.14684 200.2
[M-H]- 392.15034 200.2
[M+NH4]+ 411.19144 206.5
[M+K]+ 432.12078 196.4
[M+H-H2O]+ 376.15488 185.7
[M+HCOO]- 438.15582 211.9
[M+CH3COO]- 452.17147 222.6
[M+Na-2H]- 414.13229 191.0
[M]+ 393.15707 198.8
[M]- 393.15817 198.8
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.