CID 3010208

2-hydroxy-benzoic acid n'-[1-((2r,5s)-5-hydroxymethyl-tetrahydro-furan-2-yl)-2-oxo-1,2-dihydro-pyrimidin-4-yl]-hydrazide

Structural Information

Molecular Formula
C16H18N4O5
SMILES
C1C[C@@H](O[C@@H]1CO)N2C=CC(=NC2=O)NNC(=O)C3=CC=CC=C3O
InChI
InChI=1S/C16H18N4O5/c21-9-10-5-6-14(25-10)20-8-7-13(17-16(20)24)18-19-15(23)11-3-1-2-4-12(11)22/h1-4,7-8,10,14,21-22H,5-6,9H2,(H,19,23)(H,17,18,24)/t10-,14+/m0/s1
InChIKey
OUWFNKNPVHQWIL-IINYFYTJSA-N
Compound name
2-hydroxy-N'-[1-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]benzohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

346.12772 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.13500 176.9
[M+Na]+ 369.11694 182.3
[M-H]- 345.12044 182.7
[M+NH4]+ 364.16154 185.3
[M+K]+ 385.09088 179.4
[M+H-H2O]+ 329.12498 167.2
[M+HCOO]- 391.12592 195.6
[M+CH3COO]- 405.14157 210.3
[M+Na-2H]- 367.10239 179.0
[M]+ 346.12717 175.3
[M]- 346.12827 175.3
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.