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]+ 374.13868 188.0
[M+Na]+ 396.12062 193.9
[M-H]- 372.12412 196.5
[M+NH4]+ 391.16522 202.9
[M+K]+ 412.09456 190.2
[M+H-H2O]+ 356.12866 179.7
[M+HCOO]- 418.12960 208.4
[M+CH3COO]- 432.14525 220.7
[M+Na-2H]- 394.10607 189.7
[M]+ 373.13085 191.0
[M]- 373.13195 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.