CID 10570940

F4dv6p2l7g

Structural Information

Molecular Formula

C₂₃H₂₇FN₂O

SMILES

CCN(CC)C(=O)C1=CC=C(C=C1)C(=C2CCNCC2)C3=CC(=CC=C3)F

InChI

InChI=1S/C23H27FN2O/c1-3-26(4-2)23(27)19-10-8-17(9-11-19)22(18-12-14-25-15-13-18)20-6-5-7-21(24)16-20/h5-11,16,25H,3-4,12-15H2,1-2H3

InChIKey

LPYYOHCTDGHYSI-UHFFFAOYSA-N

Compound name

N,N-diethyl-4-[(3-fluorophenyl)-piperidin-4-ylidenemethyl]benzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 30
Patents: 366.21075 Da
Monoisotopic Mass: 4.2
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]+	367.218026	190.9
[M+Na]+	389.199968	192.5
[M-H]-	365.203474	196.0
[M+NH4]+	384.244573	200.4
[M+K]+	405.173908	186.7
[M+H-H2O]+	349.208010	179.4
[M+HCOO]-	411.208951	205.4
[M+CH3COO]-	425.224601	220.1
[M+Na-2H]-	387.185416	188.5
[M]+	366.21020142	183.6
[M]-	366.21129858	183.6

Literature stripe

literature stripe

Patent stripe

patents stripe