CID 165823741

2171866-52-5

Structural Information

Molecular Formula
C22H19NO5
SMILES
CC1=C(C=C(O1)C(=O)O)CNC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C22H19NO5/c1-13-14(10-20(28-13)21(24)25)11-23-22(26)27-12-19-17-8-4-2-6-15(17)16-7-3-5-9-18(16)19/h2-10,19H,11-12H2,1H3,(H,23,26)(H,24,25)
InChIKey
GQXWGCYBPWTYEA-UHFFFAOYSA-N
Compound name
4-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-5-methylfuran-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

377.1263 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.13358 188.6
[M+Na]+ 400.11552 199.6
[M+NH4]+ 395.16012 195.2
[M+K]+ 416.08946 197.7
[M-H]- 376.11902 192.9
[M+Na-2H]- 398.10097 191.8
[M]+ 377.12575 191.1
[M]- 377.12685 191.1
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.