CID 155820156

2567495-90-1

Structural Information

Molecular Formula
C25H23NO4
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NCCC4=CC(=CC=C4)CC(=O)O
InChI
InChI=1S/C25H23NO4/c27-24(28)15-18-7-5-6-17(14-18)12-13-26-25(29)30-16-23-21-10-3-1-8-19(21)20-9-2-4-11-22(20)23/h1-11,14,23H,12-13,15-16H2,(H,26,29)(H,27,28)
InChIKey
IZFXOCXDCGDIAD-UHFFFAOYSA-N
Compound name
2-[3-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethyl]phenyl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

401.16272 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.17000 196.5
[M+Na]+ 424.15194 201.4
[M-H]- 400.15544 203.1
[M+NH4]+ 419.19654 209.5
[M+K]+ 440.12588 195.9
[M+H-H2O]+ 384.15998 187.8
[M+HCOO]- 446.16092 215.7
[M+CH3COO]- 460.17657 223.4
[M+Na-2H]- 422.13739 197.9
[M]+ 401.16217 198.9
[M]- 401.16327 198.9
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

No patent data available for this compound.