CID 124251052

503469-95-2

Structural Information

Molecular Formula
C20H16N2O5
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NCC4=CC(=NO4)C(=O)O
InChI
InChI=1S/C20H16N2O5/c23-19(24)18-9-12(27-22-18)10-21-20(25)26-11-17-15-7-3-1-5-13(15)14-6-2-4-8-16(14)17/h1-9,17H,10-11H2,(H,21,25)(H,23,24)
InChIKey
SAGUQGULXZQQMU-UHFFFAOYSA-N
Compound name
5-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-1,2-oxazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

364.10593 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.11321 182.0
[M+Na]+ 387.09515 189.0
[M-H]- 363.09865 189.4
[M+NH4]+ 382.13975 196.0
[M+K]+ 403.06909 186.3
[M+H-H2O]+ 347.10319 174.8
[M+HCOO]- 409.10413 202.0
[M+CH3COO]- 423.11978 192.7
[M+Na-2H]- 385.08060 184.2
[M]+ 364.10538 186.5
[M]- 364.10648 186.5
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.