CID 11998198

Xen907

Structural Information

Molecular Formula
C21H21NO4
SMILES
CCCCCN1C2=CC=CC=C2C3(C1=O)COC4=CC5=C(C=C34)OCO5
InChI
InChI=1S/C21H21NO4/c1-2-3-6-9-22-16-8-5-4-7-14(16)21(20(22)23)12-24-17-11-19-18(10-15(17)21)25-13-26-19/h4-5,7-8,10-11H,2-3,6,9,12-13H2,1H3
InChIKey
PHMRUZIIERITEP-UHFFFAOYSA-N
Compound name
1'-pentylspiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

33
Patents

351.14706 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.15434 181.4
[M+Na]+ 374.13628 191.2
[M-H]- 350.13978 190.9
[M+NH4]+ 369.18088 199.9
[M+K]+ 390.11022 189.1
[M+H-H2O]+ 334.14432 177.0
[M+HCOO]- 396.14526 197.2
[M+CH3COO]- 410.16091 193.3
[M+Na-2H]- 372.12173 182.5
[M]+ 351.14651 187.1
[M]- 351.14761 187.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe