CID 28829

17901-74-5

Structural Information

Molecular Formula
C20H28N2
SMILES
C1CCC2=C(CC1)N(C3=CC=CC=C23)CCN4CCCCC4
InChI
InChI=1S/C20H28N2/c1-3-9-17-18-10-5-6-12-20(18)22(19(17)11-4-1)16-15-21-13-7-2-8-14-21/h5-6,10,12H,1-4,7-9,11,13-16H2
InChIKey
VXNCGZASURMYOI-UHFFFAOYSA-N
Compound name
5-(2-piperidin-1-ylethyl)-7,8,9,10-tetrahydro-6H-cyclohepta[b]indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.22525 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.23253 172.9
[M+Na]+ 319.21447 176.7
[M-H]- 295.21797 178.2
[M+NH4]+ 314.25907 187.9
[M+K]+ 335.18841 173.3
[M+H-H2O]+ 279.22251 163.8
[M+HCOO]- 341.22345 186.9
[M+CH3COO]- 355.23910 181.6
[M+Na-2H]- 317.19992 174.4
[M]+ 296.22470 165.4
[M]- 296.22580 165.4
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

No patent data available for this compound.