CID 3063675

101394-27-8

Structural Information

Molecular Formula

C₁₅H₁₄N₂O₂

SMILES

CN1CCC(=O)N(C1=O)C2=CC=CC3=CC=CC=C32

InChI

InChI=1S/C15H14N2O2/c1-16-10-9-14(18)17(15(16)19)13-8-4-6-11-5-2-3-7-12(11)13/h2-8H,9-10H2,1H3

InChIKey

LXBLGDYZOMEQFF-UHFFFAOYSA-N

Compound name

1-methyl-3-naphthalen-1-yl-1,3-diazinane-2,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 254.10553 Da
Monoisotopic Mass: 2.0
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]+	255.112806	157.7
[M+Na]+	277.094748	166.3
[M-H]-	253.098254	162.5
[M+NH4]+	272.139353	172.9
[M+K]+	293.068688	161.6
[M+H-H2O]+	237.102790	148.5
[M+HCOO]-	299.103731	175.2
[M+CH3COO]-	313.119381	169.1
[M+Na-2H]-	275.080196	162.4
[M]+	254.10498142	155.5
[M]-	254.10607858	155.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe