CID 99050

50504-27-3

Structural Information

Molecular Formula

C₂₀H₂₇N₃O

SMILES

CCCCNC(=O)C1CC2C(CC3=CNC4=CC=CC2=C34)N(C1)C

InChI

InChI=1S/C20H27N3O/c1-3-4-8-21-20(24)14-9-16-15-6-5-7-17-19(15)13(11-22-17)10-18(16)23(2)12-14/h5-7,11,14,16,18,22H,3-4,8-10,12H2,1-2H3,(H,21,24)

InChIKey

YWYWNPNJIAXPHW-UHFFFAOYSA-N

Compound name

N-butyl-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 325.21542 Da
Monoisotopic Mass: 2.9
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]+	326.222696	179.9
[M+Na]+	348.204638	185.5
[M-H]-	324.208144	180.4
[M+NH4]+	343.249243	195.6
[M+K]+	364.178578	178.9
[M+H-H2O]+	308.212680	171.3
[M+HCOO]-	370.213621	192.6
[M+CH3COO]-	384.229271	188.2
[M+Na-2H]-	346.190086	181.9
[M]+	325.21487142	178.2
[M]-	325.21596858	178.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.