CID 16077327

Chembl389619

Structural Information

Molecular Formula

C₂₁H₂₀N₂O₄

SMILES

CC1=C(N(C(=O)NC1=O)COCC2CC2)C(=O)C3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C21H20N2O4/c1-13-18(19(24)17-8-4-6-15-5-2-3-7-16(15)17)23(21(26)22-20(13)25)12-27-11-14-9-10-14/h2-8,14H,9-12H2,1H3,(H,22,25,26)

InChIKey

IFYIVAHKOWAWBH-UHFFFAOYSA-N

Compound name

1-(cyclopropylmethoxymethyl)-5-methyl-6-(naphthalene-1-carbonyl)pyrimidine-2,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 364.1423 Da
Monoisotopic Mass: 3.1
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]+	365.149576	190.0
[M+Na]+	387.131518	200.4
[M-H]-	363.135024	197.2
[M+NH4]+	382.176123	195.4
[M+K]+	403.105458	193.0
[M+H-H2O]+	347.139560	180.0
[M+HCOO]-	409.140501	208.0
[M+CH3COO]-	423.156151	217.1
[M+Na-2H]-	385.116966	192.0
[M]+	364.14175142	194.8
[M]-	364.14284858	194.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.