CID 258236

120873-22-5

Structural Information

Molecular Formula

C₁₆H₁₇N₃O

SMILES

C1CN(CCN1C2=CC=CC=C2)C(=O)C3=CN=CC=C3

InChI

InChI=1S/C16H17N3O/c20-16(14-5-4-8-17-13-14)19-11-9-18(10-12-19)15-6-2-1-3-7-15/h1-8,13H,9-12H2

InChIKey

NMZWWGBKDGULHW-UHFFFAOYSA-N

Compound name

(4-phenylpiperazin-1-yl)-pyridin-3-ylmethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 267.13718 Da
Monoisotopic Mass: 1.9
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]+	268.144456	163.4
[M+Na]+	290.126398	168.2
[M-H]-	266.129904	167.7
[M+NH4]+	285.171003	174.4
[M+K]+	306.100338	163.3
[M+H-H2O]+	250.134440	151.9
[M+HCOO]-	312.135381	179.2
[M+CH3COO]-	326.151031	172.7
[M+Na-2H]-	288.111846	167.9
[M]+	267.13663142	157.8
[M]-	267.13772858	157.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe