CID 11058171

173690-44-3

Structural Information

Molecular Formula
C24H21NO4
SMILES
CN(CC1=CC=C(C=C1)C(=O)O)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C24H21NO4/c1-25(14-16-10-12-17(13-11-16)23(26)27)24(28)29-15-22-20-8-4-2-6-18(20)19-7-3-5-9-21(19)22/h2-13,22H,14-15H2,1H3,(H,26,27)
InChIKey
RCYMITTUGADOGC-UHFFFAOYSA-N
Compound name
4-[[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]methyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

387.14706 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.154336 192.7
[M+Na]+ 410.136278 198.1
[M-H]- 386.139784 201.0
[M+NH4]+ 405.180883 206.9
[M+K]+ 426.110218 194.2
[M+H-H2O]+ 370.144320 184.2
[M+HCOO]- 432.145261 212.7
[M+CH3COO]- 446.160911 223.6
[M+Na-2H]- 408.121726 193.8
[M]+ 387.14651142 196.0
[M]- 387.14760858 196.0
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.