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

1
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 142.1
[M+Na]+ 238.05869 152.3
[M-H]- 214.06219 150.2
[M+NH4]+ 233.10329 156.5
[M+K]+ 254.03263 149.4
[M+H-H2O]+ 198.06673 135.4
[M+HCOO]- 260.06767 167.0
[M+CH3COO]- 274.08332 199.2
[M+Na-2H]- 236.04414 152.3
[M]+ 215.06892 145.0
[M]- 215.07002 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