CID 2756108

111524-95-9

Structural Information

Molecular Formula
C23H19NO4
SMILES
C1=CC=C(C=C1)[C@H](C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C23H19NO4/c25-22(26)21(15-8-2-1-3-9-15)24-23(27)28-14-20-18-12-6-4-10-16(18)17-11-5-7-13-19(17)20/h1-13,20-21H,14H2,(H,24,27)(H,25,26)/t21-/m1/s1
InChIKey
PCJHOCNJLMFYCV-OAQYLSRUSA-N
Compound name
(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-phenylacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

129
Patents

373.1314 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.13868 187.2
[M+Na]+ 396.12062 191.8
[M-H]- 372.12412 193.9
[M+NH4]+ 391.16522 201.0
[M+K]+ 412.09456 187.2
[M+H-H2O]+ 356.12866 179.0
[M+HCOO]- 418.12960 206.1
[M+CH3COO]- 432.14525 217.3
[M+Na-2H]- 394.10607 189.2
[M]+ 373.13085 188.0
[M]- 373.13195 188.0
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