CID 13203536

88809-72-7

Structural Information

Molecular Formula
C21H27N3O2
SMILES
CCN(CC)CC(C1=CC=CC=C1)N2C3=C(C=CC=N3)OC(C2=O)(C)C
InChI
InChI=1S/C21H27N3O2/c1-5-23(6-2)15-17(16-11-8-7-9-12-16)24-19-18(13-10-14-22-19)26-21(3,4)20(24)25/h7-14,17H,5-6,15H2,1-4H3
InChIKey
VVPOPZFSQRCTSL-UHFFFAOYSA-N
Compound name
4-[2-(diethylamino)-1-phenylethyl]-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

353.21033 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.21761 188.3
[M+Na]+ 376.19955 194.2
[M-H]- 352.20305 194.4
[M+NH4]+ 371.24415 200.3
[M+K]+ 392.17349 191.8
[M+H-H2O]+ 336.20759 177.6
[M+HCOO]- 398.20853 204.6
[M+CH3COO]- 412.22418 222.1
[M+Na-2H]- 374.18500 191.9
[M]+ 353.20978 190.7
[M]- 353.21088 190.7
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.