CID 37179

Brn 0415788

Structural Information

Molecular Formula
C18H22N2O
SMILES
C1CCN(CC1)CC2CCC3=C(C2=O)C4=CC=CC=C4N3
InChI
InChI=1S/C18H22N2O/c21-18-13(12-20-10-4-1-5-11-20)8-9-16-17(18)14-6-2-3-7-15(14)19-16/h2-3,6-7,13,19H,1,4-5,8-12H2
InChIKey
PRSCDPOZHFDLNZ-UHFFFAOYSA-N
Compound name
3-(piperidin-1-ylmethyl)-1,2,3,9-tetrahydrocarbazol-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

282.17322 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.18050 168.3
[M+Na]+ 305.16244 181.4
[M+NH4]+ 300.20704 177.5
[M+K]+ 321.13638 174.6
[M-H]- 281.16594 172.2
[M+Na-2H]- 303.14789 173.4
[M]+ 282.17267 171.2
[M]- 282.17377 171.2
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

patents stripe