CID 3041105

Pyrrolo(4,3,2-de)isoquinoline-4(3h)-propanamine, 1,5-dihydro-n,n-dimethyl-, dihydrochloride

Structural Information

Molecular Formula

C₁₅H₂₁N₃

SMILES

CN(C)CCCN1CC2=C3C(=CNC3=CC=C2)C1

InChI

InChI=1S/C15H21N3/c1-17(2)7-4-8-18-10-12-5-3-6-14-15(12)13(11-18)9-16-14/h3,5-6,9,16H,4,7-8,10-11H2,1-2H3

InChIKey

SCARELYPKPYURH-UHFFFAOYSA-N

Compound name

3-(2,6-diazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraen-6-yl)-N,N-dimethylpropan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 243.17355 Da
Monoisotopic Mass: 1.9
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]+	244.180826	157.7
[M+Na]+	266.162768	164.8
[M-H]-	242.166274	159.4
[M+NH4]+	261.207373	176.5
[M+K]+	282.136708	160.5
[M+H-H2O]+	226.170810	149.5
[M+HCOO]-	288.171751	176.7
[M+CH3COO]-	302.187401	169.0
[M+Na-2H]-	264.148216	163.3
[M]+	243.17300142	158.9
[M]-	243.17409858	158.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe