CID 3006431

Bdbm50131918

Structural Information

Molecular Formula
C11H16N5O8P
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)CN=[N+]=[N-])O
InChI
InChI=1S/C11H16N5O8P/c1-5-3-16(11(19)14-9(5)18)10-8(17)6(2-13-15-12)7(24-10)4-23-25(20,21)22/h3,6-8,10,17H,2,4H2,1H3,(H,14,18,19)(H2,20,21,22)/t6-,7-,8-,10-/m1/s1
InChIKey
FROSCFRFIGNCPC-FDDDBJFASA-N
Compound name
[(2S,3S,4R,5R)-3-(azidomethyl)-4-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

377.07364 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.08092 175.4
[M+Na]+ 400.06286 180.8
[M-H]- 376.06636 177.8
[M+NH4]+ 395.10746 182.8
[M+K]+ 416.03680 175.0
[M+H-H2O]+ 360.07090 169.7
[M+HCOO]- 422.07184 200.7
[M+CH3COO]- 436.08749 209.0
[M+Na-2H]- 398.04831 181.5
[M]+ 377.07309 174.2
[M]- 377.07419 174.2
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.