CID 17040212

203453-80-9

Structural Information

Molecular Formula
C24H21NO4
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NCCC4=CC=C(C=C4)C(=O)O
InChI
InChI=1S/C24H21NO4/c26-23(27)17-11-9-16(10-12-17)13-14-25-24(28)29-15-22-20-7-3-1-5-18(20)19-6-2-4-8-21(19)22/h1-12,22H,13-15H2,(H,25,28)(H,26,27)
InChIKey
BYXHJLWUYIRBIB-UHFFFAOYSA-N
Compound name
4-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

387.14706 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.154336 191.9
[M+Na]+ 410.136278 197.3
[M-H]- 386.139784 198.8
[M+NH4]+ 405.180883 205.6
[M+K]+ 426.110218 192.0
[M+H-H2O]+ 370.144320 183.5
[M+HCOO]- 432.145261 211.5
[M+CH3COO]- 446.160911 220.5
[M+Na-2H]- 408.121726 193.9
[M]+ 387.14651142 194.0
[M]- 387.14760858 194.0
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