CID 372153

Nsc647107

Structural Information

Molecular Formula
C17H14N2O4
SMILES
C1=CC=C2C=C(C=CC2=C1)C(=O)CCC3C(=O)NC(=O)NC3=O
InChI
InChI=1S/C17H14N2O4/c20-14(8-7-13-15(21)18-17(23)19-16(13)22)12-6-5-10-3-1-2-4-11(10)9-12/h1-6,9,13H,7-8H2,(H2,18,19,21,22,23)
InChIKey
PFVXZBCVUKDZPF-UHFFFAOYSA-N
Compound name
5-(3-naphthalen-2-yl-3-oxopropyl)-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.09537 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.10265 170.5
[M+Na]+ 333.08459 177.2
[M-H]- 309.08809 172.2
[M+NH4]+ 328.12919 181.5
[M+K]+ 349.05853 171.1
[M+H-H2O]+ 293.09263 161.5
[M+HCOO]- 355.09357 184.0
[M+CH3COO]- 369.10922 201.5
[M+Na-2H]- 331.07004 172.5
[M]+ 310.09482 166.2
[M]- 310.09592 166.2
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.