CID 20517

Solypertine

Structural Information

Molecular Formula
C22H25N3O3
SMILES
COC1=CC=CC=C1N2CCN(CC2)CCC3=CNC4=CC5=C(C=C43)OCO5
InChI
InChI=1S/C22H25N3O3/c1-26-20-5-3-2-4-19(20)25-10-8-24(9-11-25)7-6-16-14-23-18-13-22-21(12-17(16)18)27-15-28-22/h2-5,12-14,23H,6-11,15H2,1H3
InChIKey
GIWODWVYEOAGQV-UHFFFAOYSA-N
Compound name
7-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-5H-[1,3]dioxolo[4,5-f]indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

365
Patents

379.1896 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.19688 189.0
[M+Na]+ 402.17882 195.9
[M-H]- 378.18232 196.4
[M+NH4]+ 397.22342 198.5
[M+K]+ 418.15276 191.8
[M+H-H2O]+ 362.18686 179.3
[M+HCOO]- 424.18780 201.8
[M+CH3COO]- 438.20345 197.9
[M+Na-2H]- 400.16427 188.7
[M]+ 379.18905 189.6
[M]- 379.19015 189.7
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