CID 495742

Nsc667480

Structural Information

Molecular Formula
C16H19N5O5
SMILES
C1[C@H]([C@@H](O[C@@H]1N2C=C(C(=O)NC2=O)NN=NCC3=CC=CC=C3)CO)O
InChI
InChI=1S/C16H19N5O5/c22-9-13-12(23)6-14(26-13)21-8-11(15(24)18-16(21)25)19-20-17-7-10-4-2-1-3-5-10/h1-5,8,12-14,22-23H,6-7,9H2,(H,17,19)(H,18,24,25)/t12-,13+,14+/m1/s1
InChIKey
JRUQEYGKZKYIMP-RDBSUJKOSA-N
Compound name
5-(2-benzyliminohydrazinyl)-1-[(2S,4R,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

361.1386 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.14588 179.8
[M+Na]+ 384.12782 186.2
[M-H]- 360.13132 187.2
[M+NH4]+ 379.17242 188.3
[M+K]+ 400.10176 182.9
[M+H-H2O]+ 344.13586 169.5
[M+HCOO]- 406.13680 202.1
[M+CH3COO]- 420.15245 217.8
[M+Na-2H]- 382.11327 183.4
[M]+ 361.13805 179.6
[M]- 361.13915 179.6
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.