CID 3010211

(1s,2s)-1-{n'-[1-((2r,5s)-5-hydroxymethyl-tetrahydro-furan-2-yl)-2-oxo-1,2-dihydro-pyrimidin-4-yl]-hydrazinocarbonyl}-2-methyl-butyl-ammonium

Structural Information

Molecular Formula
C15H25N5O4
SMILES
CC[C@H](C)[C@@H](C(=O)NNC1=NC(=O)N(C=C1)[C@H]2CC[C@H](O2)CO)N
InChI
InChI=1S/C15H25N5O4/c1-3-9(2)13(16)14(22)19-18-11-6-7-20(15(23)17-11)12-5-4-10(8-21)24-12/h6-7,9-10,12-13,21H,3-5,8,16H2,1-2H3,(H,19,22)(H,17,18,23)/t9-,10-,12+,13-/m0/s1
InChIKey
DHYHWSOBZROQKE-DJIHRAIXSA-N
Compound name
(2S,3S)-2-amino-N'-[1-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-3-methylpentanehydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

339.19064 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.19792 180.9
[M+Na]+ 362.17986 183.8
[M-H]- 338.18336 183.7
[M+NH4]+ 357.22446 189.9
[M+K]+ 378.15380 182.7
[M+H-H2O]+ 322.18790 171.5
[M+HCOO]- 384.18884 198.4
[M+CH3COO]- 398.20449 216.6
[M+Na-2H]- 360.16531 179.4
[M]+ 339.19009 178.5
[M]- 339.19119 178.5
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.