CID 137949888

2171265-74-8

Structural Information

Molecular Formula
C23H23NO6
SMILES
COC(=O)C[C@H]1C[C@H](N(C1)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)C(=O)O
InChI
InChI=1S/C23H23NO6/c1-29-21(25)11-14-10-20(22(26)27)24(12-14)23(28)30-13-19-17-8-4-2-6-15(17)16-7-3-5-9-18(16)19/h2-9,14,19-20H,10-13H2,1H3,(H,26,27)/t14-,20+/m1/s1
InChIKey
JYSXSPVSKGMGCQ-VLIAUNLRSA-N
Compound name
(2S,4R)-1-(9H-fluoren-9-ylmethoxycarbonyl)-4-(2-methoxy-2-oxoethyl)pyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

409.15253 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.159806 197.0
[M+Na]+ 432.141748 201.9
[M-H]- 408.145254 202.8
[M+NH4]+ 427.186353 210.6
[M+K]+ 448.115688 198.7
[M+H-H2O]+ 392.149790 190.0
[M+HCOO]- 454.150731 212.1
[M+CH3COO]- 468.166381 220.9
[M+Na-2H]- 430.127196 193.0
[M]+ 409.15198142 200.0
[M]- 409.15307858 200.0
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

No patent data available for this compound.