CID 5774729

303059-55-4

Structural Information

Molecular Formula
C17H15N3O4
SMILES
C1=CC=C\2C(=C1)C3=C(/C2=N\NC(=O)N)C=CC=C3C(=O)OCCO
InChI
InChI=1S/C17H15N3O4/c18-17(23)20-19-15-11-5-2-1-4-10(11)14-12(15)6-3-7-13(14)16(22)24-9-8-21/h1-7,21H,8-9H2,(H3,18,20,23)/b19-15-
InChIKey
TWTOKUWDPQCFCQ-CYVLTUHYSA-N
Compound name
2-hydroxyethyl (9Z)-9-(carbamoylhydrazinylidene)fluorene-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.10626 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.11354 170.3
[M+Na]+ 348.09548 176.7
[M-H]- 324.09898 175.4
[M+NH4]+ 343.14008 186.9
[M+K]+ 364.06942 173.4
[M+H-H2O]+ 308.10352 163.0
[M+HCOO]- 370.10446 194.2
[M+CH3COO]- 384.12011 214.7
[M+Na-2H]- 346.08093 174.6
[M]+ 325.10571 171.5
[M]- 325.10681 171.5
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.