CID 368289

Nsc638797

Structural Information

Molecular Formula
C19H21N3O8
SMILES
CC1(C(CC(O1)N2C=C(C(=O)NC2=O)C(=O)NC(=O)OCC3=CC=CC=C3)O)CO
InChI
InChI=1S/C19H21N3O8/c1-19(10-23)13(24)7-14(30-19)22-8-12(15(25)20-17(22)27)16(26)21-18(28)29-9-11-5-3-2-4-6-11/h2-6,8,13-14,23-24H,7,9-10H2,1H3,(H,20,25,27)(H,21,26,28)
InChIKey
OCTMTLLSBABYGR-UHFFFAOYSA-N
Compound name
benzyl N-[1-[4-hydroxy-5-(hydroxymethyl)-5-methyloxolan-2-yl]-2,4-dioxopyrimidine-5-carbonyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

419.13287 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 420.14015 192.1
[M+Na]+ 442.12209 198.1
[M-H]- 418.12559 197.0
[M+NH4]+ 437.16669 199.1
[M+K]+ 458.09603 196.2
[M+H-H2O]+ 402.13013 183.6
[M+HCOO]- 464.13107 207.1
[M+CH3COO]- 478.14672 218.4
[M+Na-2H]- 440.10754 192.1
[M]+ 419.13232 193.5
[M]- 419.13342 193.5
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.