CID 71127

Prozapine

Structural Information

Molecular Formula

C₂₁H₂₇N

SMILES

C1CCCN(CC1)CCC(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C21H27N/c1-2-10-17-22(16-9-1)18-15-21(19-11-5-3-6-12-19)20-13-7-4-8-14-20/h3-8,11-14,21H,1-2,9-10,15-18H2

InChIKey

QSEKJQWRMSJZDE-UHFFFAOYSA-N

Compound name

1-(3,3-diphenylpropyl)azepane

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 3
References: 682
Patents: 293.21436 Da
Monoisotopic Mass: 5.2
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]+	294.221636	172.2
[M+Na]+	316.203578	172.6
[M-H]-	292.207084	179.1
[M+NH4]+	311.248183	184.0
[M+K]+	332.177518	171.6
[M+H-H2O]+	276.211620	163.3
[M+HCOO]-	338.212561	188.4
[M+CH3COO]-	352.228211	180.4
[M+Na-2H]-	314.189026	174.3
[M]+	293.21381142	163.7
[M]-	293.21490858	163.7

Literature stripe

literature stripe

Patent stripe

patents stripe