CID 6335903

Clovoxamine

Structural Information

Molecular Formula

C₁₄H₂₁ClN₂O₂

SMILES

COCCCC/C(=N\OCCN)/C1=CC=C(C=C1)Cl

InChI

InChI=1S/C14H21ClN2O2/c1-18-10-3-2-4-14(17-19-11-9-16)12-5-7-13(15)8-6-12/h5-8H,2-4,9-11,16H2,1H3/b17-14+

InChIKey

XXPVSQRPGBUFKM-SAPNQHFASA-N

Compound name

2-[(E)-[1-(4-chlorophenyl)-5-methoxypentylidene]amino]oxyethanamine

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 28
References: 1395
Patents: 284.12915 Da
Monoisotopic Mass: 2.4
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]+	285.136426	167.2
[M+Na]+	307.118368	172.8
[M-H]-	283.121874	170.8
[M+NH4]+	302.162973	183.7
[M+K]+	323.092308	169.0
[M+H-H2O]+	267.126410	160.3
[M+HCOO]-	329.127351	188.1
[M+CH3COO]-	343.143001	206.4
[M+Na-2H]-	305.103816	170.2
[M]+	284.12860142	172.2
[M]-	284.12969858	172.2

Literature stripe

literature stripe

Patent stripe

patents stripe