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

8
Patents

363.21982 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.227096 192.7
[M+Na]+ 386.209038 199.2
[M-H]- 362.212544 198.1
[M+NH4]+ 381.253643 206.9
[M+K]+ 402.182978 192.4
[M+H-H2O]+ 346.217080 183.5
[M+HCOO]- 408.218021 212.2
[M+CH3COO]- 422.233671 219.3
[M+Na-2H]- 384.194486 191.7
[M]+ 363.21927142 196.7
[M]- 363.22036858 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