CID 3059719

Hydrazinecarboxamide, 2-(3,4-dihydro-3,4-dioxo-4-naphthalenyl)-n-methyl-

Structural Information

Molecular Formula
C12H11N3O3
SMILES
CNC(=O)N=NC1=CC(=C(C2=CC=CC=C21)O)O
InChI
InChI=1S/C12H11N3O3/c1-13-12(18)15-14-9-6-10(16)11(17)8-5-3-2-4-7(8)9/h2-6,16-17H,1H3,(H,13,18)
InChIKey
TUMYIVZDWYLZAV-UHFFFAOYSA-N
Compound name
1-(3,4-dihydroxynaphthalen-1-yl)imino-3-methylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.08005 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.087326 150.0
[M+Na]+ 268.069268 158.0
[M-H]- 244.072774 155.3
[M+NH4]+ 263.113873 167.9
[M+K]+ 284.043208 155.8
[M+H-H2O]+ 228.077310 142.9
[M+HCOO]- 290.078251 176.5
[M+CH3COO]- 304.093901 200.1
[M+Na-2H]- 266.054716 157.9
[M]+ 245.07950142 150.9
[M]- 245.08059858 150.9
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.