CID 13198093

88799-54-6

Structural Information

Molecular Formula
C17H18N2O2
SMILES
CC(C1=CC=CC=C1)N2C3=C(C=CC=N3)OC(C2=O)(C)C
InChI
InChI=1S/C17H18N2O2/c1-12(13-8-5-4-6-9-13)19-15-14(10-7-11-18-15)21-17(2,3)16(19)20/h4-12H,1-3H3
InChIKey
OPLNHBVEJDIESB-UHFFFAOYSA-N
Compound name
2,2-dimethyl-4-(1-phenylethyl)pyrido[3,2-b][1,4]oxazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.13684 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.14412 166.5
[M+Na]+ 305.12606 175.1
[M-H]- 281.12956 172.1
[M+NH4]+ 300.17066 181.3
[M+K]+ 321.10000 172.1
[M+H-H2O]+ 265.13410 157.1
[M+HCOO]- 327.13504 182.7
[M+CH3COO]- 341.15069 177.8
[M+Na-2H]- 303.11151 172.4
[M]+ 282.13629 167.1
[M]- 282.13739 167.1
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.