CID 145874544

2375250-53-4

Structural Information

Molecular Formula
C21H21NO6S
SMILES
CS(=O)(=O)[C@@H]1C[C@H](N(C1)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)C(=O)O
InChI
InChI=1S/C21H21NO6S/c1-29(26,27)13-10-19(20(23)24)22(11-13)21(25)28-12-18-16-8-4-2-6-14(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
MLTVEVWPJNEJFC-YJYMSZOUSA-N
Compound name
(2S,4R)-1-(9H-fluoren-9-ylmethoxycarbonyl)-4-methylsulfonylpyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

415.10895 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 416.11623 194.1
[M+Na]+ 438.09817 202.7
[M+NH4]+ 433.14277 199.4
[M+K]+ 454.07211 200.7
[M-H]- 414.10167 194.1
[M+Na-2H]- 436.08362 195.6
[M]+ 415.10840 195.4
[M]- 415.10950 195.4
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.