CID 508417

Schembl6280891

Structural Information

Molecular Formula
C21H24N2O2
SMILES
CCN(CCCCN1C2=CC=CC=C2C(=O)C1=O)CC3=CC=CC=C3
InChI
InChI=1S/C21H24N2O2/c1-2-22(16-17-10-4-3-5-11-17)14-8-9-15-23-19-13-7-6-12-18(19)20(24)21(23)25/h3-7,10-13H,2,8-9,14-16H2,1H3
InChIKey
YUOZUICINOLYIL-UHFFFAOYSA-N
Compound name
1-[4-[benzyl(ethyl)amino]butyl]indole-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

336.18378 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.19106 182.5
[M+Na]+ 359.17300 188.6
[M-H]- 335.17650 189.5
[M+NH4]+ 354.21760 197.8
[M+K]+ 375.14694 183.8
[M+H-H2O]+ 319.18104 173.2
[M+HCOO]- 381.18198 204.6
[M+CH3COO]- 395.19763 217.5
[M+Na-2H]- 357.15845 183.8
[M]+ 336.18323 185.7
[M]- 336.18433 185.7
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