CID 360573

5-(9-anthrylmethylene)-2,4,6(1h,3h,5h)-pyrimidinetrione

Structural Information

Molecular Formula
C19H12N2O3
SMILES
C1=CC=C2C(=C1)C=C3C=CC=CC3=C2C=C4C(=O)NC(=O)NC4=O
InChI
InChI=1S/C19H12N2O3/c22-17-16(18(23)21-19(24)20-17)10-15-13-7-3-1-5-11(13)9-12-6-2-4-8-14(12)15/h1-10H,(H2,20,21,22,23,24)
InChIKey
DOUGKDZIBIQOQP-UHFFFAOYSA-N
Compound name
5-(anthracen-9-ylmethylidene)-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

316.08478 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.09206 173.3
[M+Na]+ 339.07400 189.4
[M+NH4]+ 334.11860 180.4
[M+K]+ 355.04794 181.0
[M-H]- 315.07750 176.4
[M+Na-2H]- 337.05945 179.6
[M]+ 316.08423 176.4
[M]- 316.08533 176.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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