CID 65825

Tedisamil

Structural Information

Molecular Formula
C19H32N2
SMILES
C1CCC2(C1)C3CN(CC2CN(C3)CC4CC4)CC5CC5
InChI
InChI=1S/C19H32N2/c1-2-8-19(7-1)17-11-20(9-15-3-4-15)12-18(19)14-21(13-17)10-16-5-6-16/h15-18H,1-14H2
InChIKey
CTIRHWCPXYGDGF-UHFFFAOYSA-N
Compound name
3,7-bis(cyclopropylmethyl)spiro[3,7-diazabicyclo[3.3.1]nonane-9,1'-cyclopentane]
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

97
References

1609
Patents

288.25656 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.26384 150.5
[M+Na]+ 311.24578 162.4
[M+NH4]+ 306.29038 161.5
[M+K]+ 327.21972 158.7
[M-H]- 287.24928 167.2
[M+Na-2H]- 309.23123 161.0
[M]+ 288.25601 159.0
[M]- 288.25711 159.0
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