CID 2756082

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

2D Structure

compound 2d structure
1
Annotation Hits

1
References

515
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

literature stripe

Patent stripe

patents stripe