CID 137965988

2230803-40-2

Structural Information

Molecular Formula
C26H23NO4
SMILES
C1[C@H]([C@@H]1C(=O)O)C2=CC=CC(=C2)CNC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35
InChI
InChI=1S/C26H23NO4/c28-25(29)23-13-22(23)17-7-5-6-16(12-17)14-27-26(30)31-15-24-20-10-3-1-8-18(20)19-9-2-4-11-21(19)24/h1-12,22-24H,13-15H2,(H,27,30)(H,28,29)/t22-,23+/m0/s1
InChIKey
WLHWYLTWURTYMX-XZOQPEGZSA-N
Compound name
(1R,2R)-2-[3-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]phenyl]cyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

413.16272 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 414.17000 191.0
[M+Na]+ 436.15194 198.2
[M-H]- 412.15544 201.1
[M+NH4]+ 431.19654 199.2
[M+K]+ 452.12588 191.7
[M+H-H2O]+ 396.15998 183.5
[M+HCOO]- 458.16092 210.2
[M+CH3COO]- 472.17657 200.1
[M+Na-2H]- 434.13739 192.2
[M]+ 413.16217 195.3
[M]- 413.16327 195.3
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.