CID 452792

2'bunh-5'(4meotrityl)dt

Structural Information

Molecular Formula
C34H39N3O5
SMILES
CCCCN[C@@H]1C[C@H](O[C@H]1N2C=C(C(=O)NC2=O)C)COC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=C(C=C5)OC
InChI
InChI=1S/C34H39N3O5/c1-4-5-20-35-30-21-29(42-32(30)37-22-24(2)31(38)36-33(37)39)23-41-34(25-12-8-6-9-13-25,26-14-10-7-11-15-26)27-16-18-28(40-3)19-17-27/h6-19,22,29-30,32,35H,4-5,20-21,23H2,1-3H3,(H,36,38,39)/t29-,30+,32+/m0/s1
InChIKey
USUJYIFLCBEUSX-XAGDYJCDSA-N
Compound name
1-[(2R,3R,5S)-3-(butylamino)-5-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

569.289 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 570.29628 240.8
[M+Na]+ 592.27822 243.6
[M-H]- 568.28172 252.5
[M+NH4]+ 587.32282 240.0
[M+K]+ 608.25216 238.0
[M+H-H2O]+ 552.28626 227.1
[M+HCOO]- 614.28720 254.7
[M+CH3COO]- 628.30285 254.6
[M+Na-2H]- 590.26367 238.5
[M]+ 569.28845 242.5
[M]- 569.28955 242.5
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.