CID 16769555

1093390-64-7

Structural Information

Molecular Formula

C₁₅H₁₆N₂O

SMILES

C1CN(CCN1)C(=O)C2=CC=CC3=CC=CC=C32

InChI

InChI=1S/C15H16N2O/c18-15(17-10-8-16-9-11-17)14-7-3-5-12-4-1-2-6-13(12)14/h1-7,16H,8-11H2

InChIKey

NARSWBLQNUFOIM-UHFFFAOYSA-N

Compound name

naphthalen-1-yl(piperazin-1-yl)methanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 65
Patents: 240.12627 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]+	241.133546	155.3
[M+Na]+	263.115488	160.3
[M-H]-	239.118994	157.6
[M+NH4]+	258.160093	169.6
[M+K]+	279.089428	155.1
[M+H-H2O]+	223.123530	146.1
[M+HCOO]-	285.124471	170.0
[M+CH3COO]-	299.140121	165.0
[M+Na-2H]-	261.100936	160.6
[M]+	240.12572142	148.6
[M]-	240.12681858	148.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe