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]+ 326.113536 170.3
[M+Na]+ 348.095478 176.7
[M-H]- 324.098984 175.4
[M+NH4]+ 343.140083 186.9
[M+K]+ 364.069418 173.4
[M+H-H2O]+ 308.103520 163.0
[M+HCOO]- 370.104461 194.2
[M+CH3COO]- 384.120111 214.7
[M+Na-2H]- 346.080926 174.6
[M]+ 325.10571142 171.5
[M]- 325.10680858 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.