CID 10714385

2-(((((9h-fluoren-9-yl)methoxy)carbonyl)amino)methyl)benzoic acid

Structural Information

Molecular Formula
C23H19NO4
SMILES
C1=CC=C(C(=C1)CNC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)C(=O)O
InChI
InChI=1S/C23H19NO4/c25-22(26)16-8-2-1-7-15(16)13-24-23(27)28-14-21-19-11-5-3-9-17(19)18-10-4-6-12-20(18)21/h1-12,21H,13-14H2,(H,24,27)(H,25,26)
InChIKey
ZPHFVZKLOMMGCU-UHFFFAOYSA-N
Compound name
2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

71
Patents

373.1314 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.13868 187.3
[M+Na]+ 396.12062 193.2
[M-H]- 372.12412 194.4
[M+NH4]+ 391.16522 201.6
[M+K]+ 412.09456 188.1
[M+H-H2O]+ 356.12866 179.1
[M+HCOO]- 418.12960 207.3
[M+CH3COO]- 432.14525 217.6
[M+Na-2H]- 394.10607 189.8
[M]+ 373.13085 189.2
[M]- 373.13195 189.2
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

patents stripe