CID 71688

Naftazone

Structural Information

Molecular Formula
C11H9N3O2
SMILES
C1=CC=C2C(=C1)C=CC(=C2O)N=NC(=O)N
InChI
InChI=1S/C11H9N3O2/c12-11(16)14-13-9-6-5-7-3-1-2-4-8(7)10(9)15/h1-6,15H,(H2,12,16)
InChIKey
AGSIRJFXAANBMW-UHFFFAOYSA-N
Compound name
(1-hydroxynaphthalen-2-yl)iminourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

20
References

818
Patents

215.06947 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.076746 142.4
[M+Na]+ 238.058688 150.4
[M-H]- 214.062194 148.4
[M+NH4]+ 233.103293 161.7
[M+K]+ 254.032628 148.2
[M+H-H2O]+ 198.066730 135.3
[M+HCOO]- 260.067671 170.0
[M+CH3COO]- 274.083321 196.0
[M+Na-2H]- 236.044136 150.8
[M]+ 215.06892142 142.0
[M]- 215.07001858 142.0
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.