CID 37178

35556-74-2

Structural Information

Molecular Formula

C₁₇H₂₀N₂O

SMILES

C1CCN(C1)CC2CCC3=C(C2=O)C4=CC=CC=C4N3

InChI

InChI=1S/C17H20N2O/c20-17-12(11-19-9-3-4-10-19)7-8-15-16(17)13-5-1-2-6-14(13)18-15/h1-2,5-6,12,18H,3-4,7-11H2

InChIKey

WBBHJFWTAFPWRY-UHFFFAOYSA-N

Compound name

3-(pyrrolidin-1-ylmethyl)-1,2,3,9-tetrahydrocarbazol-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 268.15756 Da
Monoisotopic Mass: 2.7
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]+	269.164836	163.2
[M+Na]+	291.146778	170.6
[M-H]-	267.150284	167.6
[M+NH4]+	286.191383	181.8
[M+K]+	307.120718	164.3
[M+H-H2O]+	251.154820	155.3
[M+HCOO]-	313.155761	179.7
[M+CH3COO]-	327.171411	174.0
[M+Na-2H]-	289.132226	163.9
[M]+	268.15701142	159.3
[M]-	268.15810858	159.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe