CID 37179

35557-10-9

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: 1
Patents: 282.17322 Da
Monoisotopic Mass: 3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	283.180496	167.1
[M+Na]+	305.162438	173.1
[M-H]-	281.165944	170.5
[M+NH4]+	300.207043	183.0
[M+K]+	321.136378	166.3
[M+H-H2O]+	265.170480	157.9
[M+HCOO]-	327.171421	180.8
[M+CH3COO]-	341.187071	176.5
[M+Na-2H]-	303.147886	169.2
[M]+	282.17267142	161.0
[M]-	282.17376858	161.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe