CID 978386

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

Structural Information

Molecular Formula
C22H17NO4
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NC4=CC=CC=C4C(=O)O
InChI
InChI=1S/C22H17NO4/c24-21(25)18-11-5-6-12-20(18)23-22(26)27-13-19-16-9-3-1-7-14(16)15-8-2-4-10-17(15)19/h1-12,19H,13H2,(H,23,26)(H,24,25)
InChIKey
CNAVPEPPAVHHKN-UHFFFAOYSA-N
Compound name
2-(9H-fluoren-9-ylmethoxycarbonylamino)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

276
Patents

359.11575 Da
Monoisotopic Mass

4.7
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

literature stripe

Patent stripe

patents stripe