CID 3070292

2,2-dimethyl-4-(2-hydroxy-3-(1-pyrrolidinyl)propyl)-2h-pyrido(3,2-b)-1,4-oxazin-3(4h)-one

Structural Information

Molecular Formula
C16H23N3O3
SMILES
CC1(C(=O)N(C2=C(O1)C=CC=N2)CC(CN3CCCC3)O)C
InChI
InChI=1S/C16H23N3O3/c1-16(2)15(21)19(14-13(22-16)6-5-7-17-14)11-12(20)10-18-8-3-4-9-18/h5-7,12,20H,3-4,8-11H2,1-2H3
InChIKey
OULBZCCFXMGBRH-UHFFFAOYSA-N
Compound name
4-(2-hydroxy-3-pyrrolidin-1-ylpropyl)-2,2-dimethylpyrido[3,2-b][1,4]oxazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.17395 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.18123 173.2
[M+Na]+ 328.16317 179.4
[M-H]- 304.16667 175.4
[M+NH4]+ 323.20777 186.6
[M+K]+ 344.13711 176.7
[M+H-H2O]+ 288.17121 164.4
[M+HCOO]- 350.17215 185.0
[M+CH3COO]- 364.18780 202.0
[M+Na-2H]- 326.14862 174.4
[M]+ 305.17340 171.6
[M]- 305.17450 171.6
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.