CID 508426

Schembl6280422

Structural Information

Molecular Formula
C25H31NO2
SMILES
CCCCCCCCCCCN1C2=C(C=CC=C2C(=O)C1=O)C3=CC=CC=C3
InChI
InChI=1S/C25H31NO2/c1-2-3-4-5-6-7-8-9-13-19-26-23-21(20-15-11-10-12-16-20)17-14-18-22(23)24(27)25(26)28/h10-12,14-18H,2-9,13,19H2,1H3
InChIKey
YORJORPLRWESAS-UHFFFAOYSA-N
Compound name
7-phenyl-1-undecylindole-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

377.23547 Da
Monoisotopic Mass

7.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.24275 197.3
[M+Na]+ 400.22469 203.3
[M-H]- 376.22819 202.4
[M+NH4]+ 395.26929 210.9
[M+K]+ 416.19863 196.2
[M+H-H2O]+ 360.23273 187.9
[M+HCOO]- 422.23367 216.3
[M+CH3COO]- 436.24932 222.2
[M+Na-2H]- 398.21014 195.7
[M]+ 377.23492 201.5
[M]- 377.23602 201.5
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