CID 370561

Nsc643787

Structural Information

Molecular Formula
C28H27N3O5
SMILES
C1=CC=C(C=C1)C(CC2C(C(C(O2)N3C=C(C(=O)NC3=O)N)O)O)(C4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C28H27N3O5/c29-21-17-31(27(35)30-25(21)34)26-24(33)23(32)22(36-26)16-28(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15,17,22-24,26,32-33H,16,29H2,(H,30,34,35)
InChIKey
SGOLVNKRZIXHOS-UHFFFAOYSA-N
Compound name
5-amino-1-[3,4-dihydroxy-5-(2,2,2-triphenylethyl)oxolan-2-yl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

485.19507 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 486.20235 215.5
[M+Na]+ 508.18429 220.4
[M-H]- 484.18779 225.5
[M+NH4]+ 503.22889 216.8
[M+K]+ 524.15823 214.1
[M+H-H2O]+ 468.19233 203.9
[M+HCOO]- 530.19327 228.2
[M+CH3COO]- 544.20892 221.5
[M+Na-2H]- 506.16974 214.7
[M]+ 485.19452 211.4
[M]- 485.19562 211.4
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.