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 201.1
[M+Na]+ 445.17339 204.3
[M-H]- 421.17689 206.6
[M+NH4]+ 440.21799 213.6
[M+K]+ 461.14733 201.0
[M+H-H2O]+ 405.18143 193.9
[M+HCOO]- 467.18237 215.7
[M+CH3COO]- 481.19802 228.4
[M+Na-2H]- 443.15884 196.2
[M]+ 422.18362 201.9
[M]- 422.18472 201.9
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.