CID 10897300

Ctk8f6945

Structural Information

Molecular Formula
C34H37N3O7
SMILES
CCCC(=O)NC1=NC(=O)N(C=C1)[C@H]2C[C@@H]([C@H](O2)COC(C3=CC=CC=C3)(C4=CC=C(C=C4)OC)C5=CC=C(C=C5)OC)O
InChI
InChI=1S/C34H37N3O7/c1-4-8-31(39)35-30-19-20-37(33(40)36-30)32-21-28(38)29(44-32)22-43-34(23-9-6-5-7-10-23,24-11-15-26(41-2)16-12-24)25-13-17-27(42-3)18-14-25/h5-7,9-20,28-29,32,38H,4,8,21-22H2,1-3H3,(H,35,36,39,40)/t28-,29+,32+/m0/s1
InChIKey
JAHWXECJHMFQQG-NPLMNSEMSA-N
Compound name
N-[1-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]-2-oxopyrimidin-4-yl]butanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

599.2631 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 600.27038 243.5
[M+Na]+ 622.25232 245.1
[M-H]- 598.25582 255.3
[M+NH4]+ 617.29692 241.0
[M+K]+ 638.22626 242.3
[M+H-H2O]+ 582.26036 229.8
[M+HCOO]- 644.26130 256.7
[M+CH3COO]- 658.27695 259.3
[M+Na-2H]- 620.23777 241.0
[M]+ 599.26255 247.2
[M]- 599.26365 247.2
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.