CID 9578469

Beta-naphthoquinone semicarbazone

Structural Information

Molecular Formula
C11H9N3O2
SMILES
C1C2=CC=CC=C2/C(=N\NC(=O)N)/C3=C1O3
InChI
InChI=1S/C11H9N3O2/c12-11(15)14-13-9-7-4-2-1-3-6(7)5-8-10(9)16-8/h1-4H,5H2,(H3,12,14,15)/b13-9+
InChIKey
LBOONAZAQGOTJJ-UKTHLTGXSA-N
Compound name
[(E)-7H-naphtho[2,3-b]oxiren-2-ylideneamino]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

215.06947 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.07675 144.8
[M+Na]+ 238.05869 157.5
[M+NH4]+ 233.10329 154.0
[M+K]+ 254.03263 153.3
[M-H]- 214.06219 156.7
[M+Na-2H]- 236.04414 152.4
[M]+ 215.06892 150.9
[M]- 215.07002 150.9
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.