CID 13203540

88809-52-3

Structural Information

Molecular Formula
C21H27N3O2
SMILES
CCC1C(=O)N(C2=C(O1)C=CC=N2)C(CN(CC)CC)C3=CC=CC=C3
InChI
InChI=1S/C21H27N3O2/c1-4-18-21(25)24(20-19(26-18)13-10-14-22-20)17(15-23(5-2)6-3)16-11-8-7-9-12-16/h7-14,17-18H,4-6,15H2,1-3H3
InChIKey
BPQOCCRIRDCYLZ-UHFFFAOYSA-N
Compound name
4-[2-(diethylamino)-1-phenylethyl]-2-ethylpyrido[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

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.21761 189.4
[M+Na]+ 376.19955 194.1
[M-H]- 352.20305 195.0
[M+NH4]+ 371.24415 199.2
[M+K]+ 392.17349 191.2
[M+H-H2O]+ 336.20759 178.2
[M+HCOO]- 398.20853 205.5
[M+CH3COO]- 412.22418 222.5
[M+Na-2H]- 374.18500 191.7
[M]+ 353.20978 191.3
[M]- 353.21088 191.3
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.