CID 22569032

332121-91-2

Structural Information

Molecular Formula
C23H19NO4
SMILES
CC1=CC(=C(C=C1)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)C(=O)O
InChI
InChI=1S/C23H19NO4/c1-14-10-11-21(19(12-14)22(25)26)24-23(27)28-13-20-17-8-4-2-6-15(17)16-7-3-5-9-18(16)20/h2-12,20H,13H2,1H3,(H,24,27)(H,25,26)
InChIKey
LUZFNFRMORUWNG-UHFFFAOYSA-N
Compound name
2-(9H-fluoren-9-ylmethoxycarbonylamino)-5-methylbenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

217
Patents

373.1314 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.138676 187.8
[M+Na]+ 396.120618 194.5
[M-H]- 372.124124 195.2
[M+NH4]+ 391.165223 202.4
[M+K]+ 412.094558 189.5
[M+H-H2O]+ 356.128660 179.8
[M+HCOO]- 418.129601 207.7
[M+CH3COO]- 432.145251 218.9
[M+Na-2H]- 394.106066 189.6
[M]+ 373.13085142 190.1
[M]- 373.13194858 190.1
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