CID 138046608

2248268-30-4

Structural Information

Molecular Formula
C26H23NO4
SMILES
C1CC(C1)(C2=CC=C(C=C2)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35)C(=O)O
InChI
InChI=1S/C26H23NO4/c28-24(29)26(14-5-15-26)17-10-12-18(13-11-17)27-25(30)31-16-23-21-8-3-1-6-19(21)20-7-2-4-9-22(20)23/h1-4,6-13,23H,5,14-16H2,(H,27,30)(H,28,29)
InChIKey
KRFXWTBJHKVUAI-UHFFFAOYSA-N
Compound name
1-[4-(9H-fluoren-9-ylmethoxycarbonylamino)phenyl]cyclobutane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

413.16272 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 414.17000 199.6
[M+Na]+ 436.15194 203.1
[M-H]- 412.15544 208.8
[M+NH4]+ 431.19654 207.2
[M+K]+ 452.12588 201.1
[M+H-H2O]+ 396.15998 185.4
[M+HCOO]- 458.16092 216.3
[M+CH3COO]- 472.17657 207.5
[M+Na-2H]- 434.13739 200.5
[M]+ 413.16217 208.1
[M]- 413.16327 208.1
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.