CID 104547078

1566847-89-9

Structural Information

Molecular Formula
C25H23NO4
SMILES
CN(CCC1=CC=CC=C1C(=O)O)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C25H23NO4/c1-26(15-14-17-8-2-3-9-18(17)24(27)28)25(29)30-16-23-21-12-6-4-10-19(21)20-11-5-7-13-22(20)23/h2-13,23H,14-16H2,1H3,(H,27,28)
InChIKey
YNINFKZFRYHOOB-UHFFFAOYSA-N
Compound name
2-[2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]ethyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

401.16272 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.17000 197.4
[M+Na]+ 424.15194 202.3
[M-H]- 400.15544 205.4
[M+NH4]+ 419.19654 211.0
[M+K]+ 440.12588 198.2
[M+H-H2O]+ 384.15998 188.6
[M+HCOO]- 446.16092 217.0
[M+CH3COO]- 460.17657 226.5
[M+Na-2H]- 422.13739 197.9
[M]+ 401.16217 200.9
[M]- 401.16327 200.9
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.