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

literature stripe

Patent stripe

patents stripe