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]+ 354.217606 188.3
[M+Na]+ 376.199548 194.2
[M-H]- 352.203054 194.4
[M+NH4]+ 371.244153 200.3
[M+K]+ 392.173488 191.8
[M+H-H2O]+ 336.207590 177.6
[M+HCOO]- 398.208531 204.6
[M+CH3COO]- 412.224181 222.1
[M+Na-2H]- 374.184996 191.9
[M]+ 353.20978142 190.7
[M]- 353.21087858 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.