CID 2761790

511272-46-1

Structural Information

Molecular Formula
C22H19NO4S
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)N[C@H](CC(=O)O)C4=CSC=C4
InChI
InChI=1S/C22H19NO4S/c24-21(25)11-20(14-9-10-28-13-14)23-22(26)27-12-19-17-7-3-1-5-15(17)16-6-2-4-8-18(16)19/h1-10,13,19-20H,11-12H2,(H,23,26)(H,24,25)/t20-/m1/s1
InChIKey
FQLMDOMRTRHLFX-HXUWFJFHSA-N
Compound name
(3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-3-thiophen-3-ylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

393.1035 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.11078 190.6
[M+Na]+ 416.09272 200.1
[M+NH4]+ 411.13732 198.1
[M+K]+ 432.06666 195.7
[M-H]- 392.09622 193.8
[M+Na-2H]- 414.07817 194.9
[M]+ 393.10295 193.1
[M]- 393.10405 193.1
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

No patent data available for this compound.