CID 452695

3'-cyanamino-3'-dt

Structural Information

Molecular Formula
C11H14N4O4
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)NC#N
InChI
InChI=1S/C11H14N4O4/c1-6-3-15(11(18)14-10(6)17)9-2-7(13-5-12)8(4-16)19-9/h3,7-9,13,16H,2,4H2,1H3,(H,14,17,18)/t7-,8+,9+/m0/s1
InChIKey
OSVHZKDTMNHVAE-DJLDLDEBSA-N
Compound name
[(2S,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]cyanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

266.1015 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.10878 156.2
[M+Na]+ 289.09072 166.2
[M-H]- 265.09422 157.6
[M+NH4]+ 284.13532 167.4
[M+K]+ 305.06466 163.0
[M+H-H2O]+ 249.09876 141.6
[M+HCOO]- 311.09970 171.4
[M+CH3COO]- 325.11535 204.7
[M+Na-2H]- 287.07617 157.8
[M]+ 266.10095 150.1
[M]- 266.10205 150.2
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.