CID 110521

N-phenyl-n-(3-(tetrahydro-1,3-dimethyl-2,4,6-trioxo-5(2h)-pyrimidinylidene)-1-propen-1-yl)acetamide

Structural Information

Molecular Formula

C₁₇H₁₇N₃O₄

SMILES

CC(=O)N(C=CC=C1C(=O)N(C(=O)N(C1=O)C)C)C2=CC=CC=C2

InChI

InChI=1S/C17H17N3O4/c1-12(21)20(13-8-5-4-6-9-13)11-7-10-14-15(22)18(2)17(24)19(3)16(14)23/h4-11H,1-3H3

InChIKey

NOXHIROCWZYZHM-UHFFFAOYSA-N

Compound name

N-[3-(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)prop-1-enyl]-N-phenylacetamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 0
Patents: 327.12192 Da
Monoisotopic Mass: 1.0
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]+	328.129196	173.9
[M+Na]+	350.111138	181.4
[M-H]-	326.114644	179.3
[M+NH4]+	345.155743	185.7
[M+K]+	366.085078	177.8
[M+H-H2O]+	310.119180	164.8
[M+HCOO]-	372.120121	192.9
[M+CH3COO]-	386.135771	214.5
[M+Na-2H]-	348.096586	173.0
[M]+	327.12137142	174.1
[M]-	327.12246858	174.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.