CID 496304

Nsc685193

Structural Information

Molecular Formula
C20H23N3O7
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]3[C@H](O2)COC(N3OC(=O)C)C4=CC=C(C=C4)OC
InChI
InChI=1S/C20H23N3O7/c1-11-9-22(20(26)21-18(11)25)17-8-15-16(29-17)10-28-19(23(15)30-12(2)24)13-4-6-14(27-3)7-5-13/h4-7,9,15-17,19H,8,10H2,1-3H3,(H,21,25,26)/t15-,16-,17-,19?/m1/s1
InChIKey
XLJROOORDKMRTP-YIVKDGLNSA-N
Compound name
[(4aS,6R,7aR)-2-(4-methoxyphenyl)-6-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,4,4a,6,7,7a-hexahydrofuro[3,2-d][1,3]oxazin-1-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

417.1536 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 418.16088 197.3
[M+Na]+ 440.14282 205.1
[M-H]- 416.14632 204.6
[M+NH4]+ 435.18742 202.6
[M+K]+ 456.11676 203.5
[M+H-H2O]+ 400.15086 187.3
[M+HCOO]- 462.15180 208.7
[M+CH3COO]- 476.16745 224.0
[M+Na-2H]- 438.12827 195.4
[M]+ 417.15305 200.5
[M]- 417.15415 200.5
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.