CID 460307

Cpf(d)-ddu

Structural Information

Molecular Formula
C32H34N4O9
SMILES
C1CC(N(C1)C(=O)C(=O)OC[C@@H]2CC[C@@H](O2)N3C=CC(=O)NC3=O)C(=O)N[C@H](CC4=CC=CC=C4)C(=O)OCC5=CC=CC=C5
InChI
InChI=1S/C32H34N4O9/c37-26-15-17-36(32(42)34-26)27-14-13-23(45-27)20-44-31(41)29(39)35-16-7-12-25(35)28(38)33-24(18-21-8-3-1-4-9-21)30(40)43-19-22-10-5-2-6-11-22/h1-6,8-11,15,17,23-25,27H,7,12-14,16,18-20H2,(H,33,38)(H,34,37,42)/t23-,24+,25?,27+/m0/s1
InChIKey
NXQFASSQAAENKK-RZCMDMDYSA-N
Compound name
benzyl (2R)-2-[[1-[2-[[(2S,5R)-5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]-2-oxoacetyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

618.2326 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 619.23988 234.6
[M+Na]+ 641.22182 232.1
[M-H]- 617.22532 245.2
[M+NH4]+ 636.26642 230.8
[M+K]+ 657.19576 231.6
[M+H-H2O]+ 601.22986 223.0
[M+HCOO]- 663.23080 244.6
[M+CH3COO]- 677.24645 257.4
[M+Na-2H]- 639.20727 226.3
[M]+ 618.23205 234.0
[M]- 618.23315 234.0
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.