CID 3718300

Dodecyl 1,3-dioxo-2-phenylisoindoline-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]+ 436.248246 211.4
[M+Na]+ 458.230188 216.0
[M-H]- 434.233694 216.2
[M+NH4]+ 453.274793 222.1
[M+K]+ 474.204128 209.9
[M+H-H2O]+ 418.238230 201.5
[M+HCOO]- 480.239171 229.2
[M+CH3COO]- 494.254821 231.7
[M+Na-2H]- 456.215636 207.9
[M]+ 435.24042142 217.7
[M]- 435.24151858 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.