CID 392933

Nsc694145

Structural Information

Molecular Formula
C18H21N3O6
SMILES
CC1=CN(C(=O)NC1=O)C2CC3C(O2)COC(N3O)C4=CC=C(C=C4)OC
InChI
InChI=1S/C18H21N3O6/c1-10-8-20(18(23)19-16(10)22)15-7-13-14(27-15)9-26-17(21(13)24)11-3-5-12(25-2)6-4-11/h3-6,8,13-15,17,24H,7,9H2,1-2H3,(H,19,22,23)
InChIKey
DJQWKQQDYTZERE-UHFFFAOYSA-N
Compound name
1-[1-hydroxy-2-(4-methoxyphenyl)-2,4,4a,6,7,7a-hexahydrofuro[3,2-d][1,3]oxazin-6-yl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

375.14304 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.15032 188.2
[M+Na]+ 398.13226 196.8
[M-H]- 374.13576 194.3
[M+NH4]+ 393.17686 194.8
[M+K]+ 414.10620 194.0
[M+H-H2O]+ 358.14030 178.6
[M+HCOO]- 420.14124 199.5
[M+CH3COO]- 434.15689 197.2
[M+Na-2H]- 396.11771 187.6
[M]+ 375.14249 189.0
[M]- 375.14359 189.0
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.