CID 370565

Nsc643791

Structural Information

Molecular Formula
C16H19N5O6
SMILES
C1=CC=C(C=C1)CN=NNC2=CN(C(=O)NC2=O)C3C(C(C(O3)CO)O)O
InChI
InChI=1S/C16H19N5O6/c22-8-11-12(23)13(24)15(27-11)21-7-10(14(25)18-16(21)26)19-20-17-6-9-4-2-1-3-5-9/h1-5,7,11-13,15,22-24H,6,8H2,(H,17,19)(H,18,25,26)
InChIKey
MNMWZPRCWVDILM-UHFFFAOYSA-N
Compound name
5-(2-benzyliminohydrazinyl)-1-[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

377.13354 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.14082 183.0
[M+Na]+ 400.12276 189.5
[M-H]- 376.12626 189.4
[M+NH4]+ 395.16736 190.2
[M+K]+ 416.09670 186.3
[M+H-H2O]+ 360.13080 173.0
[M+HCOO]- 422.13174 203.9
[M+CH3COO]- 436.14739 219.8
[M+Na-2H]- 398.10821 185.7
[M]+ 377.13299 182.8
[M]- 377.13409 182.8
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.