CID 483703

3'-azido-3'-deoxythymidin-5'-yl n-(3-hydroxypropyl) carbamate

Structural Information

Molecular Formula
C14H20N6O6
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CONC(=O)CCCO)N=[N+]=[N-]
InChI
InChI=1S/C14H20N6O6/c1-8-6-20(14(24)16-13(8)23)12-5-9(17-19-15)10(26-12)7-25-18-11(22)3-2-4-21/h6,9-10,12,21H,2-5,7H2,1H3,(H,18,22)(H,16,23,24)/t9-,10+,12+/m0/s1
InChIKey
HVHNHBQXDMGQIZ-HOSYDEDBSA-N
Compound name
N-[[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]-4-hydroxybutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

368.14444 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.15172 180.9
[M+Na]+ 391.13366 185.5
[M-H]- 367.13716 186.1
[M+NH4]+ 386.17826 189.1
[M+K]+ 407.10760 178.8
[M+H-H2O]+ 351.14170 175.6
[M+HCOO]- 413.14264 204.7
[M+CH3COO]- 427.15829 214.9
[M+Na-2H]- 389.11911 186.4
[M]+ 368.14389 179.9
[M]- 368.14499 179.9
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.