CID 145866921

2171287-88-8

Structural Information

Molecular Formula
C24H21NO4
SMILES
C[C@@H](C1=CC=C(C=C1)C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C24H21NO4/c1-15(16-10-12-17(13-11-16)23(26)27)25-24(28)29-14-22-20-8-4-2-6-18(20)19-7-3-5-9-21(19)22/h2-13,15,22H,14H2,1H3,(H,25,28)(H,26,27)/t15-/m0/s1
InChIKey
SKEUZSHHVSBCBZ-HNNXBMFYSA-N
Compound name
4-[(1S)-1-(9H-fluoren-9-ylmethoxycarbonylamino)ethyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

387.14706 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.15434 192.6
[M+Na]+ 410.13628 204.7
[M+NH4]+ 405.18088 199.8
[M+K]+ 426.11022 199.6
[M-H]- 386.13978 196.7
[M+Na-2H]- 408.12173 198.0
[M]+ 387.14651 195.3
[M]- 387.14761 195.3
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

No patent data available for this compound.