CID 495080

Nsc643786

Structural Information

Molecular Formula
C29H28N4O7
SMILES
COC1C(=[N+]=[N-])C(=O)NC(=O)N1[C@H]2C([C@@H]([C@@H](O2)COC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)O)O
InChI
InChI=1S/C29H28N4O7/c1-38-26-22(32-30)25(36)31-28(37)33(26)27-24(35)23(34)21(40-27)17-39-29(18-11-5-2-6-12-18,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-16,21,23-24,26-27,34-35H,17H2,1H3,(H,31,36,37)/t21-,23+,24?,26?,27+/m0/s1
InChIKey
WCAMXIYMDLPOGZ-LIHDJGTHSA-N
Compound name
5-diazo-1-[(2R,4S,5S)-3,4-dihydroxy-5-(trityloxymethyl)oxolan-2-yl]-6-methoxy-1,3-diazinane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

544.1958 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 545.20308 227.9
[M+Na]+ 567.18502 227.9
[M-H]- 543.18852 238.3
[M+NH4]+ 562.22962 226.1
[M+K]+ 583.15896 218.4
[M+H-H2O]+ 527.19306 219.5
[M+HCOO]- 589.19400 239.8
[M+CH3COO]- 603.20965 240.5
[M+Na-2H]- 565.17047 229.5
[M]+ 544.19525 220.8
[M]- 544.19635 220.8
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.