CID 385877

Nsc677277

Structural Information

Molecular Formula
C14H12N4O2
SMILES
C1=CC=C2C(=C1)C=CC=C2NNC3=CC(=O)NC(=O)N3
InChI
InChI=1S/C14H12N4O2/c19-13-8-12(15-14(20)16-13)18-17-11-7-3-5-9-4-1-2-6-10(9)11/h1-8,17H,(H3,15,16,18,19,20)
InChIKey
MFDXKIUENRQVLI-UHFFFAOYSA-N
Compound name
6-(2-naphthalen-1-ylhydrazinyl)-1H-pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.09604 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.10332 156.4
[M+Na]+ 291.08526 165.1
[M-H]- 267.08876 159.4
[M+NH4]+ 286.12986 169.0
[M+K]+ 307.05920 158.1
[M+H-H2O]+ 251.09330 147.4
[M+HCOO]- 313.09424 177.7
[M+CH3COO]- 327.10989 167.2
[M+Na-2H]- 289.07071 166.0
[M]+ 268.09549 153.0
[M]- 268.09659 153.0
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.