CID 5400805

Methyl 9-((aminocarbonyl)hydrazono)-9h-fluorene-4-carboxylate

Structural Information

Molecular Formula
C16H13N3O3
SMILES
COC(=O)C1=CC=CC\2=C1C3=CC=CC=C3/C2=N/NC(=O)N
InChI
InChI=1S/C16H13N3O3/c1-22-15(20)12-8-4-7-11-13(12)9-5-2-3-6-10(9)14(11)18-19-16(17)21/h2-8H,1H3,(H3,17,19,21)/b18-14-
InChIKey
TZSOUZFSFGBUOB-JXAWBTAJSA-N
Compound name
methyl (9Z)-9-(carbamoylhydrazinylidene)fluorene-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.0957 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.102976 163.8
[M+Na]+ 318.084918 171.3
[M-H]- 294.088424 170.6
[M+NH4]+ 313.129523 182.5
[M+K]+ 334.058858 168.3
[M+H-H2O]+ 278.092960 156.7
[M+HCOO]- 340.093901 189.5
[M+CH3COO]- 354.109551 211.6
[M+Na-2H]- 316.070366 168.7
[M]+ 295.09515142 165.1
[M]- 295.09624858 165.1
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.