CID 363549

Nsc628513

Structural Information

Molecular Formula
C17H22N2
SMILES
C1CC2C=CC1CN2CCC3CNC4=CC=CC=C34
InChI
InChI=1S/C17H22N2/c1-2-4-17-16(3-1)14(11-18-17)9-10-19-12-13-5-7-15(19)8-6-13/h1-5,7,13-15,18H,6,8-12H2
InChIKey
ABDIAESJRMPKBI-UHFFFAOYSA-N
Compound name
3-[2-(2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-2,3-dihydro-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.1783 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.18558 155.0
[M+Na]+ 277.16752 158.4
[M-H]- 253.17102 151.3
[M+NH4]+ 272.21212 175.4
[M+K]+ 293.14146 152.4
[M+H-H2O]+ 237.17556 146.9
[M+HCOO]- 299.17650 162.5
[M+CH3COO]- 313.19215 163.2
[M+Na-2H]- 275.15297 162.7
[M]+ 254.17775 153.2
[M]- 254.17885 153.2
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.