CID 495745

Nsc667483

Structural Information

Molecular Formula
C13H21N5O6
SMILES
CCCCN=NNC1=CN(C(=O)NC1=O)[C@@H]2[C@H]([C@H]([C@@H](O2)CO)O)O
InChI
InChI=1S/C13H21N5O6/c1-2-3-4-14-17-16-7-5-18(13(23)15-11(7)22)12-10(21)9(20)8(6-19)24-12/h5,8-10,12,19-21H,2-4,6H2,1H3,(H,14,16)(H,15,22,23)/t8-,9-,10-,12-/m0/s1
InChIKey
HNJJSJWMDYAZOI-GMOBBJLQSA-N
Compound name
5-(2-butyliminohydrazinyl)-1-[(2S,3S,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

343.14917 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.15645 175.9
[M+Na]+ 366.13839 182.5
[M-H]- 342.14189 179.0
[M+NH4]+ 361.18299 185.1
[M+K]+ 382.11233 180.2
[M+H-H2O]+ 326.14643 167.0
[M+HCOO]- 388.14737 196.4
[M+CH3COO]- 402.16302 214.6
[M+Na-2H]- 364.12384 177.6
[M]+ 343.14862 177.0
[M]- 343.14972 177.0
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.