CID 3718300

Dodecyl 1,3-dioxo-2-phenylisoindole-5-carboxylate

Structural Information

Molecular Formula
C27H33NO4
SMILES
CCCCCCCCCCCCOC(=O)C1=CC2=C(C=C1)C(=O)N(C2=O)C3=CC=CC=C3
InChI
InChI=1S/C27H33NO4/c1-2-3-4-5-6-7-8-9-10-14-19-32-27(31)21-17-18-23-24(20-21)26(30)28(25(23)29)22-15-12-11-13-16-22/h11-13,15-18,20H,2-10,14,19H2,1H3
InChIKey
TZCXOKRQGFGXHD-UHFFFAOYSA-N
Compound name
dodecyl 1,3-dioxo-2-phenylisoindole-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

435.24097 Da
Monoisotopic Mass

7.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 436.24825 211.4
[M+Na]+ 458.23019 216.0
[M-H]- 434.23369 216.2
[M+NH4]+ 453.27479 222.1
[M+K]+ 474.20413 209.9
[M+H-H2O]+ 418.23823 201.5
[M+HCOO]- 480.23917 229.2
[M+CH3COO]- 494.25482 231.7
[M+Na-2H]- 456.21564 207.9
[M]+ 435.24042 217.7
[M]- 435.24152 217.7
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.