CID 395088

Nsc699350

Structural Information

Molecular Formula
C19H23N3O5
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]3[C@H](O2)COC(N3O)CCC4=CC=CC=C4
InChI
InChI=1S/C19H23N3O5/c1-12-10-21(19(24)20-18(12)23)17-9-14-15(27-17)11-26-16(22(14)25)8-7-13-5-3-2-4-6-13/h2-6,10,14-17,25H,7-9,11H2,1H3,(H,20,23,24)/t14-,15-,16?,17-/m1/s1
InChIKey
KPZWSLKCKPKPOO-FRBBGCKASA-N
Compound name
1-[(4aS,6R,7aR)-1-hydroxy-2-(2-phenylethyl)-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

373.16376 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.17104 189.5
[M+Na]+ 396.15298 197.1
[M-H]- 372.15648 195.0
[M+NH4]+ 391.19758 196.0
[M+K]+ 412.12692 193.2
[M+H-H2O]+ 356.16102 179.5
[M+HCOO]- 418.16196 200.3
[M+CH3COO]- 432.17761 197.9
[M+Na-2H]- 394.13843 188.8
[M]+ 373.16321 188.7
[M]- 373.16431 188.7
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.