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 167.1
[M+Na]+ 305.16244 173.1
[M-H]- 281.16594 170.5
[M+NH4]+ 300.20704 183.0
[M+K]+ 321.13638 166.3
[M+H-H2O]+ 265.17048 157.9
[M+HCOO]- 327.17142 180.8
[M+CH3COO]- 341.18707 176.5
[M+Na-2H]- 303.14789 169.2
[M]+ 282.17267 161.0
[M]- 282.17377 161.0
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