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 188.4
[M+Na]+ 400.11552 195.4
[M-H]- 376.11902 197.1
[M+NH4]+ 395.16012 203.5
[M+K]+ 416.08946 192.4
[M+H-H2O]+ 360.12356 182.1
[M+HCOO]- 422.12450 208.8
[M+CH3COO]- 436.14015 218.2
[M+Na-2H]- 398.10097 188.9
[M]+ 377.12575 193.4
[M]- 377.12685 193.4
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.