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]+ 246.08733 150.0
[M+Na]+ 268.06927 158.0
[M-H]- 244.07277 155.3
[M+NH4]+ 263.11387 167.9
[M+K]+ 284.04321 155.8
[M+H-H2O]+ 228.07731 142.9
[M+HCOO]- 290.07825 176.5
[M+CH3COO]- 304.09390 200.1
[M+Na-2H]- 266.05472 157.9
[M]+ 245.07950 150.9
[M]- 245.08060 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.