CID 454482

3'-azido dd pentofuranu deriv

Structural Information

Molecular Formula
C16H25N7O5
SMILES
C1CN(CCN1CCO)CC2=CN(C(=O)NC2=O)[C@H]3C[C@@H]([C@H](O3)CO)N=[N+]=[N-]
InChI
InChI=1S/C16H25N7O5/c17-20-19-12-7-14(28-13(12)10-25)23-9-11(15(26)18-16(23)27)8-22-3-1-21(2-4-22)5-6-24/h9,12-14,24-25H,1-8,10H2,(H,18,26,27)/t12-,13+,14+/m0/s1
InChIKey
NWPWEYZQORWUSR-BFHYXJOUSA-N
Compound name
1-[(2R,4S,5S)-4-azido-5-(hydroxymethyl)oxolan-2-yl]-5-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

395.1917 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.19898 192.3
[M+Na]+ 418.18092 195.6
[M-H]- 394.18442 196.0
[M+NH4]+ 413.22552 196.0
[M+K]+ 434.15486 186.5
[M+H-H2O]+ 378.18896 185.2
[M+HCOO]- 440.18990 207.8
[M+CH3COO]- 454.20555 216.2
[M+Na-2H]- 416.16637 195.4
[M]+ 395.19115 185.6
[M]- 395.19225 185.6
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.