CID 16662130

914361-76-5

Structural Information

Molecular Formula
C29H29N3O4
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2CN(C[C@H](O2)CO)C(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C29H29N3O4/c1-21-17-32(28(35)30-27(21)34)26-19-31(18-25(20-33)36-26)29(22-11-5-2-6-12-22,23-13-7-3-8-14-23)24-15-9-4-10-16-24/h2-17,25-26,33H,18-20H2,1H3,(H,30,34,35)/t25-,26+/m0/s1
InChIKey
SINOYLIIFJJPCM-IZZNHLLZSA-N
Compound name
1-[(2R,6S)-6-(hydroxymethyl)-4-tritylmorpholin-2-yl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

224
Patents

483.21582 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 484.22310 220.1
[M+Na]+ 506.20504 236.8
[M+NH4]+ 501.24964 224.9
[M+K]+ 522.17898 228.8
[M-H]- 482.20854 228.7
[M+Na-2H]- 504.19049 230.7
[M]+ 483.21527 225.0
[M]- 483.21637 225.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe