CID 22593486

332121-93-4

Structural Information

Molecular Formula
C23H19NO5
SMILES
COC1=CC(=C(C=C1)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)C(=O)O
InChI
InChI=1S/C23H19NO5/c1-28-14-10-11-21(19(12-14)22(25)26)24-23(27)29-13-20-17-8-4-2-6-15(17)16-7-3-5-9-18(16)20/h2-12,20H,13H2,1H3,(H,24,27)(H,25,26)
InChIKey
KSFFCSQFNZYKTE-UHFFFAOYSA-N
Compound name
2-(9H-fluoren-9-ylmethoxycarbonylamino)-5-methoxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

389.1263 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.13358 191.7
[M+Na]+ 412.11552 204.2
[M+NH4]+ 407.16012 198.5
[M+K]+ 428.08946 199.2
[M-H]- 388.11902 195.6
[M+Na-2H]- 410.10097 197.0
[M]+ 389.12575 194.4
[M]- 389.12685 194.4
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