CID 496110

Nsc679597

Structural Information

Molecular Formula
C29H27BrN2O4
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)Br
InChI
InChI=1S/C29H27BrN2O4/c1-20-18-32(28(34)31-27(20)33)26-17-24(30)25(36-26)19-35-29(21-11-5-2-6-12-21,22-13-7-3-8-14-22)23-15-9-4-10-16-23/h2-16,18,24-26H,17,19H2,1H3,(H,31,33,34)/t24-,25+,26+/m0/s1
InChIKey
QMELSZUTQFHGEW-JIMJEQGWSA-N
Compound name
1-[(2R,4S,5R)-4-bromo-5-(trityloxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

546.1154 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 547.12268 226.7
[M+Na]+ 569.10462 234.0
[M-H]- 545.10812 240.5
[M+NH4]+ 564.14922 231.6
[M+K]+ 585.07856 222.5
[M+H-H2O]+ 529.11266 222.0
[M+HCOO]- 591.11360 239.2
[M+CH3COO]- 605.12925 234.9
[M+Na-2H]- 567.09007 226.6
[M]+ 546.11485 244.0
[M]- 546.11595 244.0
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.