CID 452789

2'pip-5'(4meotrityl)dt

Structural Information

Molecular Formula
C35H39N3O5
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2[C@@H](C[C@H](O2)COC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=C(C=C5)OC)N6CCCCC6
InChI
InChI=1S/C35H39N3O5/c1-25-23-38(34(40)36-32(25)39)33-31(37-20-10-5-11-21-37)22-30(43-33)24-42-35(26-12-6-3-7-13-26,27-14-8-4-9-15-27)28-16-18-29(41-2)19-17-28/h3-4,6-9,12-19,23,30-31,33H,5,10-11,20-22,24H2,1-2H3,(H,36,39,40)/t30-,31+,33+/m0/s1
InChIKey
QORIJNKYCKDNFI-RKKDRKJOSA-N
Compound name
1-[(2R,3R,5S)-5-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]-3-piperidin-1-yloxolan-2-yl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

581.289 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 582.29628 241.4
[M+Na]+ 604.27822 242.6
[M-H]- 580.28172 253.5
[M+NH4]+ 599.32282 237.8
[M+K]+ 620.25216 236.7
[M+H-H2O]+ 564.28626 225.9
[M+HCOO]- 626.28720 249.1
[M+CH3COO]- 640.30285 244.5
[M+Na-2H]- 602.26367 236.5
[M]+ 581.28845 237.2
[M]- 581.28955 237.2
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.