CID 131294105

2092818-62-5

Structural Information

Molecular Formula
C25H19NO5
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NCC4=C(OC5=CC=CC=C54)C(=O)O
InChI
InChI=1S/C25H19NO5/c27-24(28)23-20(19-11-5-6-12-22(19)31-23)13-26-25(29)30-14-21-17-9-3-1-7-15(17)16-8-2-4-10-18(16)21/h1-12,21H,13-14H2,(H,26,29)(H,27,28)
InChIKey
OIMGXRSGZSWQMC-UHFFFAOYSA-N
Compound name
3-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-1-benzofuran-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

413.1263 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 414.13358 195.6
[M+Na]+ 436.11552 203.3
[M-H]- 412.11902 205.4
[M+NH4]+ 431.16012 209.9
[M+K]+ 452.08946 199.4
[M+H-H2O]+ 396.12356 188.7
[M+HCOO]- 458.12450 215.9
[M+CH3COO]- 472.14015 206.0
[M+Na-2H]- 434.10097 198.0
[M]+ 413.12575 201.7
[M]- 413.12685 201.7
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

No patent data available for this compound.