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]+ 299.10265 166.3
[M+Na]+ 321.08459 177.1
[M-H]- 297.08809 172.3
[M+NH4]+ 316.12919 182.1
[M+K]+ 337.05853 172.9
[M+H-H2O]+ 281.09263 158.2
[M+HCOO]- 343.09357 186.3
[M+CH3COO]- 357.10922 204.8
[M+Na-2H]- 319.07004 167.6
[M]+ 298.09482 169.8
[M]- 298.09592 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.