CID 16211400

957507-85-6

Structural Information

Molecular Formula
C24H26N2O5
SMILES
CC(C)[C@@H](C(=O)O)N1CC[C@H](C1=O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C24H26N2O5/c1-14(2)21(23(28)29)26-12-11-20(22(26)27)25-24(30)31-13-19-17-9-5-3-7-15(17)16-8-4-6-10-18(16)19/h3-10,14,19-21H,11-13H2,1-2H3,(H,25,30)(H,28,29)/t20-,21+/m1/s1
InChIKey
PEMHOAIHPQJNIM-RTWAWAEBSA-N
Compound name
(2S)-2-[(3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-2-oxopyrrolidin-1-yl]-3-methylbutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

422.18417 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.19145 199.9
[M+Na]+ 445.17339 207.2
[M+NH4]+ 440.21799 204.8
[M+K]+ 461.14733 207.1
[M-H]- 421.17689 200.9
[M+Na-2H]- 443.15884 200.5
[M]+ 422.18362 200.6
[M]- 422.18472 200.6
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.