CID 112557933

1566216-08-7

Structural Information

Molecular Formula
C25H21NO4
SMILES
C1CC1(C2=CC=C(C=C2)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35)C(=O)O
InChI
InChI=1S/C25H21NO4/c27-23(28)25(13-14-25)16-9-11-17(12-10-16)26-24(29)30-15-22-20-7-3-1-5-18(20)19-6-2-4-8-21(19)22/h1-12,22H,13-15H2,(H,26,29)(H,27,28)
InChIKey
WMWPISRQHHFAEO-UHFFFAOYSA-N
Compound name
1-[4-(9H-fluoren-9-ylmethoxycarbonylamino)phenyl]cyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

399.14706 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.15434 197.8
[M+Na]+ 422.13628 212.3
[M+NH4]+ 417.18088 207.6
[M+K]+ 438.11022 205.5
[M-H]- 398.13978 210.5
[M+Na-2H]- 420.12173 208.2
[M]+ 399.14651 204.8
[M]- 399.14761 204.8
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.