CID 17040197

946727-62-4

Structural Information

Molecular Formula
C22H23NO4S
SMILES
C1CSCCC1(CC(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C22H23NO4S/c24-20(25)13-22(9-11-28-12-10-22)23-21(26)27-14-19-17-7-3-1-5-15(17)16-6-2-4-8-18(16)19/h1-8,19H,9-14H2,(H,23,26)(H,24,25)
InChIKey
MOZSRIGQQHPMTM-UHFFFAOYSA-N
Compound name
2-[4-(9H-fluoren-9-ylmethoxycarbonylamino)thian-4-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

397.13477 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.14205 190.8
[M+Na]+ 420.12399 200.0
[M+NH4]+ 415.16859 199.9
[M+K]+ 436.09793 191.4
[M-H]- 396.12749 194.3
[M+Na-2H]- 418.10944 196.4
[M]+ 397.13422 193.5
[M]- 397.13532 193.5
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.