CID 122622

C-azt

Structural Information

Molecular Formula
C10H13N5O4
SMILES
CN1C=C(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)N=[N+]=[N-]
InChI
InChI=1S/C10H13N5O4/c1-15-3-5(9(17)12-10(15)18)7-2-6(13-14-11)8(4-16)19-7/h3,6-8,16H,2,4H2,1H3,(H,12,17,18)/t6-,7+,8+/m0/s1
InChIKey
UTJZDXBVQJNTHL-XLPZGREQSA-N
Compound name
5-[(2R,4S,5S)-4-azido-5-(hydroxymethyl)oxolan-2-yl]-1-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

267.09674 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.10402 156.6
[M+Na]+ 290.08596 164.6
[M-H]- 266.08946 162.3
[M+NH4]+ 285.13056 169.7
[M+K]+ 306.05990 157.4
[M+H-H2O]+ 250.09400 152.6
[M+HCOO]- 312.09494 181.3
[M+CH3COO]- 326.11059 193.5
[M+Na-2H]- 288.07141 163.6
[M]+ 267.09619 153.8
[M]- 267.09729 153.8
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

patents stripe