CID 9578469

Refchem:1052382

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

5
Patents

215.06947 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.076746 142.1
[M+Na]+ 238.058688 152.3
[M-H]- 214.062194 150.2
[M+NH4]+ 233.103293 156.5
[M+K]+ 254.032628 149.4
[M+H-H2O]+ 198.066730 135.4
[M+HCOO]- 260.067671 167.0
[M+CH3COO]- 274.083321 199.2
[M+Na-2H]- 236.044136 152.3
[M]+ 215.06892142 145.0
[M]- 215.07001858 145.0
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

patents stripe