CID 132350955

214838-75-2

Structural Information

Molecular Formula
C22H23NO4S
SMILES
C1CN(CCC1SCC(=O)O)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C22H23NO4S/c24-21(25)14-28-15-9-11-23(12-10-15)22(26)27-13-20-18-7-3-1-5-16(18)17-6-2-4-8-19(17)20/h1-8,15,20H,9-14H2,(H,24,25)
InChIKey
JLVRIMPZFVGYCB-UHFFFAOYSA-N
Compound name
2-[1-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-4-yl]sulfanylacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

397.13477 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.14205 193.2
[M+Na]+ 420.12399 197.7
[M-H]- 396.12749 197.8
[M+NH4]+ 415.16859 206.1
[M+K]+ 436.09793 192.7
[M+H-H2O]+ 380.13203 185.7
[M+HCOO]- 442.13297 202.3
[M+CH3COO]- 456.14862 201.1
[M+Na-2H]- 418.10944 191.3
[M]+ 397.13422 194.5
[M]- 397.13532 194.5
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.