CID 16244034

2-((((9h-fluoren-9-yl)methoxy)carbonyl)amino)-2-(naphthalen-2-yl)acetic acid

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 199.3
[M+Na]+ 446.13628 203.8
[M-H]- 422.13978 206.7
[M+NH4]+ 441.18088 211.8
[M+K]+ 462.11022 198.3
[M+H-H2O]+ 406.14432 190.3
[M+HCOO]- 468.14526 216.1
[M+CH3COO]- 482.16091 207.4
[M+Na-2H]- 444.12173 201.4
[M]+ 423.14651 200.3
[M]- 423.14761 200.3
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

patents stripe