CID 16244034

369403-40-7

Structural Information

Molecular Formula
C27H21NO4
SMILES
C1=CC=C2C=C(C=CC2=C1)C(C(=O)O)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35
InChI
InChI=1S/C27H21NO4/c29-26(30)25(19-14-13-17-7-1-2-8-18(17)15-19)28-27(31)32-16-24-22-11-5-3-9-20(22)21-10-4-6-12-23(21)24/h1-15,24-25H,16H2,(H,28,31)(H,29,30)
InChIKey
XWRGISZRUVIDKT-UHFFFAOYSA-N
Compound name
2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-naphthalen-2-ylacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

423.14706 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 424.15434 201.6
[M+Na]+ 446.13628 214.9
[M+NH4]+ 441.18088 209.4
[M+K]+ 462.11022 208.5
[M-H]- 422.13978 206.8
[M+Na-2H]- 444.12173 207.4
[M]+ 423.14651 204.9
[M]- 423.14761 204.9
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

patents stripe