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

392
Patents

359.11575 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.123026 182.7
[M+Na]+ 382.104968 189.1
[M-H]- 358.108474 190.0
[M+NH4]+ 377.149573 197.6
[M+K]+ 398.078908 184.1
[M+H-H2O]+ 342.113010 174.7
[M+HCOO]- 404.113951 203.1
[M+CH3COO]- 418.129601 192.9
[M+Na-2H]- 380.090416 185.8
[M]+ 359.11520142 184.3
[M]- 359.11629858 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