CID 16106

Perlapine

Structural Information

Molecular Formula

C₁₉H₂₁N₃

SMILES

CN1CCN(CC1)C2=NC3=CC=CC=C3CC4=CC=CC=C42

InChI

InChI=1S/C19H21N3/c1-21-10-12-22(13-11-21)19-17-8-4-2-6-15(17)14-16-7-3-5-9-18(16)20-19/h2-9H,10-14H2,1H3

InChIKey

PWRPUAKXMQAFCJ-UHFFFAOYSA-N

Compound name

6-(4-methylpiperazin-1-yl)-11H-benzo[c][1]benzazepine

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 12
References: 4637
Patents: 291.17355 Da
Monoisotopic Mass: 2.8
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]+	292.180826	171.5
[M+Na]+	314.162768	178.1
[M-H]-	290.166274	176.3
[M+NH4]+	309.207373	184.1
[M+K]+	330.136708	175.2
[M+H-H2O]+	274.170810	161.2
[M+HCOO]-	336.171751	185.2
[M+CH3COO]-	350.187401	180.6
[M+Na-2H]-	312.148216	177.0
[M]+	291.17300142	165.2
[M]-	291.17409858	165.2

Literature stripe

literature stripe

Patent stripe

patents stripe