CID 20774990

503469-51-0

Structural Information

Molecular Formula
C21H17NO5
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NCC4=CC=C(O4)C(=O)O
InChI
InChI=1S/C21H17NO5/c23-20(24)19-10-9-13(27-19)11-22-21(25)26-12-18-16-7-3-1-5-14(16)15-6-2-4-8-17(15)18/h1-10,18H,11-12H2,(H,22,25)(H,23,24)
InChIKey
KRRSDMPUICWCLM-UHFFFAOYSA-N
Compound name
5-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]furan-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

363.1107 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.11798 184.2
[M+Na]+ 386.09992 195.1
[M+NH4]+ 381.14452 190.9
[M+K]+ 402.07386 193.2
[M-H]- 362.10342 188.4
[M+Na-2H]- 384.08537 187.9
[M]+ 363.11015 186.7
[M]- 363.11125 186.7
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

patents stripe