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]+ 296.10298 163.8
[M+Na]+ 318.08492 171.3
[M-H]- 294.08842 170.6
[M+NH4]+ 313.12952 182.5
[M+K]+ 334.05886 168.3
[M+H-H2O]+ 278.09296 156.7
[M+HCOO]- 340.09390 189.5
[M+CH3COO]- 354.10955 211.6
[M+Na-2H]- 316.07037 168.7
[M]+ 295.09515 165.1
[M]- 295.09625 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.