CID 136560049

2137587-64-3

Structural Information

Molecular Formula
C20H16N2O5
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NCC4=C(N=CO4)C(=O)O
InChI
InChI=1S/C20H16N2O5/c23-19(24)18-17(27-11-22-18)9-21-20(25)26-10-16-14-7-3-1-5-12(14)13-6-2-4-8-15(13)16/h1-8,11,16H,9-10H2,(H,21,25)(H,23,24)
InChIKey
WKKKOJAHZFKAJC-UHFFFAOYSA-N
Compound name
5-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-1,3-oxazole-4-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]+ 365.113206 182.0
[M+Na]+ 387.095148 189.0
[M-H]- 363.098654 189.4
[M+NH4]+ 382.139753 196.0
[M+K]+ 403.069088 186.3
[M+H-H2O]+ 347.103190 174.8
[M+HCOO]- 409.104131 202.0
[M+CH3COO]- 423.119781 192.7
[M+Na-2H]- 385.080596 184.2
[M]+ 364.10538142 186.5
[M]- 364.10647858 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.