CID 16662134

956139-30-3

Structural Information

Molecular Formula
C31H34ClN4O5P
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2CN(C[C@H](O2)COP(=O)(N(C)C)Cl)C(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C31H34ClN4O5P/c1-23-19-36(30(38)33-29(23)37)28-21-35(20-27(41-28)22-40-42(32,39)34(2)3)31(24-13-7-4-8-14-24,25-15-9-5-10-16-25)26-17-11-6-12-18-26/h4-19,27-28H,20-22H2,1-3H3,(H,33,37,38)/t27-,28+,42?/m0/s1
InChIKey
DIRYYUMNQFXZQD-ZFXAPSKHSA-N
Compound name
1-[(2R,6S)-6-[[chloro(dimethylamino)phosphoryl]oxymethyl]-4-tritylmorpholin-2-yl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

83
Patents

608.19556 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 609.20284 241.9
[M+Na]+ 631.18478 256.4
[M+NH4]+ 626.22938 245.0
[M+K]+ 647.15872 250.0
[M-H]- 607.18828 249.9
[M+Na-2H]- 629.17023 251.6
[M]+ 608.19501 246.5
[M]- 608.19611 246.5
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