CID 508431

Schembl6281435

Structural Information

Molecular Formula
C26H33NO2
SMILES
CCCCCCCCCCCCN1C2=C(C=CC=C2C(=O)C1=O)C3=CC=CC=C3
InChI
InChI=1S/C26H33NO2/c1-2-3-4-5-6-7-8-9-10-14-20-27-24-22(21-16-12-11-13-17-21)18-15-19-23(24)25(28)26(27)29/h11-13,15-19H,2-10,14,20H2,1H3
InChIKey
PSIVGOLCMDGIJJ-UHFFFAOYSA-N
Compound name
1-dodecyl-7-phenylindole-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

391.25113 Da
Monoisotopic Mass

8.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.25841 201.8
[M+Na]+ 414.24035 207.4
[M-H]- 390.24385 206.7
[M+NH4]+ 409.28495 214.8
[M+K]+ 430.21429 200.1
[M+H-H2O]+ 374.24839 192.2
[M+HCOO]- 436.24933 220.5
[M+CH3COO]- 450.26498 225.2
[M+Na-2H]- 412.22580 199.7
[M]+ 391.25058 206.4
[M]- 391.25168 206.4
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

patents stripe