CID 379231

Nsc663646

Structural Information

Molecular Formula
C16H14N2O4
SMILES
CN1C(=O)C(=O)N(C1=O)CC2=CC=C(C3=CC=CC=C23)OC
InChI
InChI=1S/C16H14N2O4/c1-17-14(19)15(20)18(16(17)21)9-10-7-8-13(22-2)12-6-4-3-5-11(10)12/h3-8H,9H2,1-2H3
InChIKey
QVTVYOLBUKXRDQ-UHFFFAOYSA-N
Compound name
1-[(4-methoxynaphthalen-1-yl)methyl]-3-methylimidazolidine-2,4,5-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.09537 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.102646 166.3
[M+Na]+ 321.084588 177.1
[M-H]- 297.088094 172.3
[M+NH4]+ 316.129193 182.1
[M+K]+ 337.058528 172.9
[M+H-H2O]+ 281.092630 158.2
[M+HCOO]- 343.093571 186.3
[M+CH3COO]- 357.109221 204.8
[M+Na-2H]- 319.070036 167.6
[M]+ 298.09482142 169.8
[M]- 298.09591858 169.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.