CID 121604595

1984074-24-9

Structural Information

Molecular Formula
C26H23NO4
SMILES
C1C(CC1(C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)C5=CC=CC=C5
InChI
InChI=1S/C26H23NO4/c28-24(29)26(14-18(15-26)17-8-2-1-3-9-17)27-25(30)31-16-23-21-12-6-4-10-19(21)20-11-5-7-13-22(20)23/h1-13,18,23H,14-16H2,(H,27,30)(H,28,29)
InChIKey
WMOYPWCGSJTGHI-UHFFFAOYSA-N
Compound name
1-(9H-fluoren-9-ylmethoxycarbonylamino)-3-phenylcyclobutane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

413.16272 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 414.17000 199.9
[M+Na]+ 436.15194 207.7
[M+NH4]+ 431.19654 204.8
[M+K]+ 452.12588 201.7
[M-H]- 412.15544 202.7
[M+Na-2H]- 434.13739 204.8
[M]+ 413.16217 200.7
[M]- 413.16327 200.7
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.