CID 13203548

88809-83-0

Structural Information

Molecular Formula
C25H27N3O2
SMILES
CCN(CC)CC(C1=CC=CC=C1)N2C(=O)C(OC3=C2N=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C25H27N3O2/c1-3-27(4-2)18-21(19-12-7-5-8-13-19)28-24-22(16-11-17-26-24)30-23(25(28)29)20-14-9-6-10-15-20/h5-17,21,23H,3-4,18H2,1-2H3
InChIKey
XIYIYYHVNISSMA-UHFFFAOYSA-N
Compound name
4-[2-(diethylamino)-1-phenylethyl]-2-phenylpyrido[3,2-b][1,4]oxazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

401.21033 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.21761 201.1
[M+Na]+ 424.19955 205.2
[M-H]- 400.20305 209.4
[M+NH4]+ 419.24415 208.0
[M+K]+ 440.17349 200.8
[M+H-H2O]+ 384.20759 188.1
[M+HCOO]- 446.20853 216.9
[M+CH3COO]- 460.22418 208.8
[M+Na-2H]- 422.18500 203.6
[M]+ 401.20978 201.4
[M]- 401.21088 201.4
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.