CID 495743

Nsc667481

Structural Information

Molecular Formula
C17H21N5O5
SMILES
C1[C@H]([C@@H](O[C@@H]1N2C=C(C(=O)NC2=O)NN=NCCC3=CC=CC=C3)CO)O
InChI
InChI=1S/C17H21N5O5/c23-10-14-13(24)8-15(27-14)22-9-12(16(25)19-17(22)26)20-21-18-7-6-11-4-2-1-3-5-11/h1-5,9,13-15,23-24H,6-8,10H2,(H,18,20)(H,19,25,26)/t13-,14+,15+/m1/s1
InChIKey
POWSBOPPGNZVHL-ILXRZTDVSA-N
Compound name
1-[(2S,4R,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-[2-(2-phenylethylimino)hydrazinyl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

375.15427 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.16155 184.1
[M+Na]+ 398.14349 190.0
[M-H]- 374.14699 191.2
[M+NH4]+ 393.18809 191.9
[M+K]+ 414.11743 186.5
[M+H-H2O]+ 358.15153 173.5
[M+HCOO]- 420.15247 206.0
[M+CH3COO]- 434.16812 220.8
[M+Na-2H]- 396.12894 187.1
[M]+ 375.15372 184.2
[M]- 375.15482 184.2
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.