CID 508425

Schembl6284050

Structural Information

Molecular Formula
C24H29NO2
SMILES
CCCCCCCCCCN1C2=C(C=CC=C2C(=O)C1=O)C3=CC=CC=C3
InChI
InChI=1S/C24H29NO2/c1-2-3-4-5-6-7-8-12-18-25-22-20(19-14-10-9-11-15-19)16-13-17-21(22)23(26)24(25)27/h9-11,13-17H,2-8,12,18H2,1H3
InChIKey
WQMCPSQJWFURHH-UHFFFAOYSA-N
Compound name
1-decyl-7-phenylindole-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

363.21982 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.22710 192.7
[M+Na]+ 386.20904 199.2
[M-H]- 362.21254 198.1
[M+NH4]+ 381.25364 206.9
[M+K]+ 402.18298 192.4
[M+H-H2O]+ 346.21708 183.5
[M+HCOO]- 408.21802 212.2
[M+CH3COO]- 422.23367 219.3
[M+Na-2H]- 384.19449 191.7
[M]+ 363.21927 196.7
[M]- 363.22037 196.7
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

patents stripe