CID 14017356

2-({[(9h-fluoren-9-yl)methoxy]carbonyl}(methyl)amino)benzoic acid

Structural Information

Molecular Formula
C23H19NO4
SMILES
CN(C1=CC=CC=C1C(=O)O)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C23H19NO4/c1-24(21-13-7-6-12-19(21)22(25)26)23(27)28-14-20-17-10-4-2-8-15(17)16-9-3-5-11-18(16)20/h2-13,20H,14H2,1H3,(H,25,26)
InChIKey
WYCXAHWYARJRQK-UHFFFAOYSA-N
Compound name
2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

373.1314 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.138676 188.0
[M+Na]+ 396.120618 193.9
[M-H]- 372.124124 196.5
[M+NH4]+ 391.165223 202.9
[M+K]+ 412.094558 190.2
[M+H-H2O]+ 356.128660 179.7
[M+HCOO]- 418.129601 208.4
[M+CH3COO]- 432.145251 220.7
[M+Na-2H]- 394.106066 189.7
[M]+ 373.13085142 191.0
[M]- 373.13194858 191.0
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.