CID 452791

2'bznh-5'(4meotrityl)dt

Structural Information

Molecular Formula
C37H37N3O5
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)NCC6=CC=CC=C6
InChI
InChI=1S/C37H37N3O5/c1-26-24-40(36(42)39-34(26)41)35-33(38-23-27-12-6-3-7-13-27)22-32(45-35)25-44-37(28-14-8-4-9-15-28,29-16-10-5-11-17-29)30-18-20-31(43-2)21-19-30/h3-21,24,32-33,35,38H,22-23,25H2,1-2H3,(H,39,41,42)/t32-,33+,35+/m0/s1
InChIKey
QOHVSAWNCZDASS-VUHKNJSWSA-N
Compound name
1-[(2R,3R,5S)-3-(benzylamino)-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

603.2733 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 604.28058 245.9
[M+Na]+ 626.26252 248.2
[M-H]- 602.26602 260.1
[M+NH4]+ 621.30712 242.8
[M+K]+ 642.23646 242.3
[M+H-H2O]+ 586.27056 230.8
[M+HCOO]- 648.27150 259.4
[M+CH3COO]- 662.28715 249.9
[M+Na-2H]- 624.24797 244.1
[M]+ 603.27275 245.4
[M]- 603.27385 245.4
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.