CID 137949300

2138420-18-3

Structural Information

Molecular Formula
C21H23NO4S
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NCCCSCCC(=O)O
InChI
InChI=1S/C21H23NO4S/c23-20(24)10-13-27-12-5-11-22-21(25)26-14-19-17-8-3-1-6-15(17)16-7-2-4-9-18(16)19/h1-4,6-9,19H,5,10-14H2,(H,22,25)(H,23,24)
InChIKey
LOXHHCLFFCKBDZ-UHFFFAOYSA-N
Compound name
3-[3-(9H-fluoren-9-ylmethoxycarbonylamino)propylsulfanyl]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

385.13477 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.14205 190.7
[M+Na]+ 408.12399 199.7
[M+NH4]+ 403.16859 197.5
[M+K]+ 424.09793 192.8
[M-H]- 384.12749 192.0
[M+Na-2H]- 406.10944 193.0
[M]+ 385.13422 192.5
[M]- 385.13532 192.5
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.