CID 495083

Nsc643790

Structural Information

Molecular Formula
C13H21N5O6
SMILES
CC(C)(C)N=NNC1=CN(C(=O)NC1=O)[C@@H]2[C@H]([C@H]([C@@H](O2)CO)O)O
InChI
InChI=1S/C13H21N5O6/c1-13(2,3)16-17-15-6-4-18(12(23)14-10(6)22)11-9(21)8(20)7(5-19)24-11/h4,7-9,11,19-21H,5H2,1-3H3,(H,15,16)(H,14,22,23)/t7-,8-,9-,11-/m0/s1
InChIKey
AFMJAEUQGBFPRD-KBIXCLLPSA-N
Compound name
5-(2-tert-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

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.15645 177.5
[M+Na]+ 366.13839 184.5
[M-H]- 342.14189 181.0
[M+NH4]+ 361.18299 186.9
[M+K]+ 382.11233 182.9
[M+H-H2O]+ 326.14643 169.6
[M+HCOO]- 388.14737 196.4
[M+CH3COO]- 402.16302 214.4
[M+Na-2H]- 364.12384 180.4
[M]+ 343.14862 178.0
[M]- 343.14972 178.0
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.