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 192.0
[M+Na]+ 406.10836 198.9
[M-H]- 382.11186 198.2
[M+NH4]+ 401.15296 208.0
[M+K]+ 422.08230 194.4
[M+H-H2O]+ 366.11640 186.3
[M+HCOO]- 428.11734 203.8
[M+CH3COO]- 442.13299 201.5
[M+Na-2H]- 404.09381 188.0
[M]+ 383.11859 196.0
[M]- 383.11969 196.0
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