CID 460308

Cpf(d)-ddc

Structural Information

Molecular Formula
C32H35N5O8
SMILES
C1CC(N(C1)C(=O)C(=O)OC[C@@H]2CC[C@@H](O2)N3C=CC(=NC3=O)N)C(=O)N[C@H](CC4=CC=CC=C4)C(=O)OCC5=CC=CC=C5
InChI
InChI=1S/C32H35N5O8/c33-26-15-17-37(32(42)35-26)27-14-13-23(45-27)20-44-31(41)29(39)36-16-7-12-25(36)28(38)34-24(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,34,38)(H2,33,35,42)/t23-,24+,25?,27+/m0/s1
InChIKey
GAZIBRJHVKAVJE-RZCMDMDYSA-N
Compound name
benzyl (2R)-2-[[1-[2-[[(2S,5R)-5-(4-amino-2-oxopyrimidin-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

617.24854 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 618.25582 236.1
[M+Na]+ 640.23776 233.2
[M-H]- 616.24126 247.5
[M+NH4]+ 635.28236 232.7
[M+K]+ 656.21170 233.0
[M+H-H2O]+ 600.24580 224.1
[M+HCOO]- 662.24674 247.7
[M+CH3COO]- 676.26239 262.4
[M+Na-2H]- 638.22321 228.0
[M]+ 617.24799 235.1
[M]- 617.24909 235.1
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.