CID 465653

3-[(eto)2chme]azt

Structural Information

Molecular Formula
C16H25N5O6
SMILES
CCOC(CN1C(=O)C(=CN(C1=O)[C@H]2C[C@@H]([C@H](O2)CO)N=[N+]=[N-])C)OCC
InChI
InChI=1S/C16H25N5O6/c1-4-25-14(26-5-2)8-21-15(23)10(3)7-20(16(21)24)13-6-11(18-19-17)12(9-22)27-13/h7,11-14,22H,4-6,8-9H2,1-3H3/t11-,12+,13+/m0/s1
InChIKey
JFWRWEWXIIPCDR-YNEHKIRRSA-N
Compound name
1-[(2R,4S,5S)-4-azido-5-(hydroxymethyl)oxolan-2-yl]-3-(2,2-diethoxyethyl)-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

383.18048 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.18776 189.3
[M+Na]+ 406.16970 195.0
[M-H]- 382.17320 195.7
[M+NH4]+ 401.21430 198.3
[M+K]+ 422.14364 189.1
[M+H-H2O]+ 366.17774 184.1
[M+HCOO]- 428.17868 212.6
[M+CH3COO]- 442.19433 220.7
[M+Na-2H]- 404.15515 192.6
[M]+ 383.17993 192.6
[M]- 383.18103 192.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.