CID 1501851

3-(9-fluorenylmethyloxycarbonyl)amino-benzoic acid

Structural Information

Molecular Formula
C22H17NO4
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NC4=CC=CC(=C4)C(=O)O
InChI
InChI=1S/C22H17NO4/c24-21(25)14-6-5-7-15(12-14)23-22(26)27-13-20-18-10-3-1-8-16(18)17-9-2-4-11-19(17)20/h1-12,20H,13H2,(H,23,26)(H,24,25)
InChIKey
VFXDSSUGFNVDJP-UHFFFAOYSA-N
Compound name
3-(9H-fluoren-9-ylmethoxycarbonylamino)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

376
Patents

359.11575 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.12303 182.7
[M+Na]+ 382.10497 189.1
[M-H]- 358.10847 190.0
[M+NH4]+ 377.14957 197.6
[M+K]+ 398.07891 184.1
[M+H-H2O]+ 342.11301 174.7
[M+HCOO]- 404.11395 203.1
[M+CH3COO]- 418.12960 192.9
[M+Na-2H]- 380.09042 185.8
[M]+ 359.11520 184.3
[M]- 359.11630 184.3
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