CID 465651

3-(hohex)azt

Structural Information

Molecular Formula
C16H25N5O5
SMILES
CC1=CN(C(=O)N(C1=O)CCCCCCO)[C@H]2C[C@@H]([C@H](O2)CO)N=[N+]=[N-]
InChI
InChI=1S/C16H25N5O5/c1-11-9-21(14-8-12(18-19-17)13(10-23)26-14)16(25)20(15(11)24)6-4-2-3-5-7-22/h9,12-14,22-23H,2-8,10H2,1H3/t12-,13+,14+/m0/s1
InChIKey
OGSINDHYTFRHAI-BFHYXJOUSA-N
Compound name
1-[(2R,4S,5S)-4-azido-5-(hydroxymethyl)oxolan-2-yl]-3-(6-hydroxyhexyl)-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

367.18558 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.19286 186.9
[M+Na]+ 390.17480 192.8
[M-H]- 366.17830 191.9
[M+NH4]+ 385.21940 196.1
[M+K]+ 406.14874 184.9
[M+H-H2O]+ 350.18284 181.9
[M+HCOO]- 412.18378 209.6
[M+CH3COO]- 426.19943 215.3
[M+Na-2H]- 388.16025 190.6
[M]+ 367.18503 187.8
[M]- 367.18613 187.8
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.