CID 70683015

Elanzepina

Structural Information

Molecular Formula

C₁₉H₂₁ClN₂

SMILES

CN(C)CC/C=C\1/C2=C(C=C(C=C2)Cl)NCC3=CC=CC=C31

InChI

InChI=1S/C19H21ClN2/c1-22(2)11-5-8-17-16-7-4-3-6-14(16)13-21-19-12-15(20)9-10-18(17)19/h3-4,6-10,12,21H,5,11,13H2,1-2H3/b17-8+

InChIKey

YXZWPKTWLHVLEY-CAOOACKPSA-N

Compound name

(3E)-3-(3-chloro-5,6-dihydrobenzo[c][1]benzazepin-11-ylidene)-N,N-dimethylpropan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 23
Patents: 312.1393 Da
Monoisotopic Mass: 4.3
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]+	313.146576	172.3
[M+Na]+	335.128518	179.9
[M-H]-	311.132024	176.8
[M+NH4]+	330.173123	188.0
[M+K]+	351.102458	177.0
[M+H-H2O]+	295.136560	165.7
[M+HCOO]-	357.137501	186.2
[M+CH3COO]-	371.153151	182.5
[M+Na-2H]-	333.113966	176.9
[M]+	312.13875142	170.6
[M]-	312.13984858	170.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe