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 197.8
[M+Na]+ 438.09817 204.7
[M-H]- 414.10167 204.1
[M+NH4]+ 433.14277 212.2
[M+K]+ 454.07211 201.3
[M+H-H2O]+ 398.10621 192.9
[M+HCOO]- 460.10715 208.6
[M+CH3COO]- 474.12280 218.1
[M+Na-2H]- 436.08362 196.0
[M]+ 415.10840 202.9
[M]- 415.10950 202.9
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.