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
2
Annotation Hits

20
References

964
Patents

215.06947 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.07675 142.4
[M+Na]+ 238.05869 150.4
[M-H]- 214.06219 148.4
[M+NH4]+ 233.10329 161.7
[M+K]+ 254.03263 148.2
[M+H-H2O]+ 198.06673 135.3
[M+HCOO]- 260.06767 170.0
[M+CH3COO]- 274.08332 196.0
[M+Na-2H]- 236.04414 150.8
[M]+ 215.06892 142.0
[M]- 215.07002 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

literature stripe

Patent stripe

patents stripe