CID 13198092

2h-pyrido(3,2-b)-1,4-oxazin-3(4h)-one, 2,2-dimethyl-4-(2-phenylethyl)-, monohydrochloride

Structural Information

Molecular Formula
C17H18N2O2
SMILES
CC1(C(=O)N(C2=C(O1)C=CC=N2)CCC3=CC=CC=C3)C
InChI
InChI=1S/C17H18N2O2/c1-17(2)16(20)19(12-10-13-7-4-3-5-8-13)15-14(21-17)9-6-11-18-15/h3-9,11H,10,12H2,1-2H3
InChIKey
MRHQGXKFBMHMLQ-UHFFFAOYSA-N
Compound name
2,2-dimethyl-4-(2-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

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.14412 166.7
[M+Na]+ 305.12606 175.6
[M-H]- 281.12956 172.2
[M+NH4]+ 300.17066 181.5
[M+K]+ 321.10000 172.1
[M+H-H2O]+ 265.13410 157.0
[M+HCOO]- 327.13504 184.0
[M+CH3COO]- 341.15069 178.0
[M+Na-2H]- 303.11151 173.7
[M]+ 282.13629 167.8
[M]- 282.13739 167.8
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.