CID 138987720

1312674-57-9

Structural Information

Molecular Formula
C21H21NO4S
SMILES
CS[C@@H]1C[C@H](N(C1)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)C(=O)O
InChI
InChI=1S/C21H21NO4S/c1-27-13-10-19(20(23)24)22(11-13)21(25)26-12-18-16-8-4-2-6-14(16)15-7-3-5-9-17(15)18/h2-9,13,18-19H,10-12H2,1H3,(H,23,24)/t13-,19+/m1/s1
InChIKey
RFNREFSUPGGKAM-YJYMSZOUSA-N
Compound name
(2S,4R)-1-(9H-fluoren-9-ylmethoxycarbonyl)-4-methylsulfanylpyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

383.11914 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.12642 189.4
[M+Na]+ 406.10836 199.5
[M+NH4]+ 401.15296 196.8
[M+K]+ 422.08230 195.2
[M-H]- 382.11186 191.6
[M+Na-2H]- 404.09381 191.7
[M]+ 383.11859 191.7
[M]- 383.11969 191.7
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

patents stripe