CID 135437901

2-(4-methylsemicarbazono)-1,2-naphthoquinone

Structural Information

Molecular Formula
C12H11N3O2
SMILES
CNC(=O)N=NC1=C(C2=CC=CC=C2C=C1)O
InChI
InChI=1S/C12H11N3O2/c1-13-12(17)15-14-10-7-6-8-4-2-3-5-9(8)11(10)16/h2-7,16H,1H3,(H,13,17)
InChIKey
RWTXWTKRMHOLMJ-UHFFFAOYSA-N
Compound name
1-(1-hydroxynaphthalen-2-yl)imino-3-methylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.08513 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.09241 146.8
[M+Na]+ 252.07435 154.4
[M-H]- 228.07785 153.2
[M+NH4]+ 247.11895 165.9
[M+K]+ 268.04829 152.4
[M+H-H2O]+ 212.08239 139.5
[M+HCOO]- 274.08333 174.7
[M+CH3COO]- 288.09898 198.9
[M+Na-2H]- 250.05980 155.8
[M]+ 229.08458 147.7
[M]- 229.08568 147.7
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.