CID 367932

Nsc638205

Structural Information

Molecular Formula
C18H19N3O9
SMILES
C1=CC=C(C=C1)COC(=O)NC(=O)C2=CN(C(=O)NC2=O)C3C(C(C(O3)CO)O)O
InChI
InChI=1S/C18H19N3O9/c22-7-11-12(23)13(24)16(30-11)21-6-10(14(25)19-17(21)27)15(26)20-18(28)29-8-9-4-2-1-3-5-9/h1-6,11-13,16,22-24H,7-8H2,(H,19,25,27)(H,20,26,28)
InChIKey
PRGIJTPURRNUSX-UHFFFAOYSA-N
Compound name
benzyl N-[1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidine-5-carbonyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

421.11212 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 422.11940 191.2
[M+Na]+ 444.10134 196.5
[M-H]- 420.10484 195.0
[M+NH4]+ 439.14594 195.4
[M+K]+ 460.07528 194.6
[M+H-H2O]+ 404.10938 182.1
[M+HCOO]- 466.11032 205.0
[M+CH3COO]- 480.12597 218.3
[M+Na-2H]- 442.08679 189.2
[M]+ 421.11157 191.7
[M]- 421.11267 191.7
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.