CID 13212021

2h-pyrido(3,2-b)-1,4-oxazine, 3,4-dihydro-2,2-dimethyl-4-(2-phenylethyl)-

Structural Information

Molecular Formula
C17H20N2O
SMILES
CC1(CN(C2=C(O1)C=CC=N2)CCC3=CC=CC=C3)C
InChI
InChI=1S/C17H20N2O/c1-17(2)13-19(12-10-14-7-4-3-5-8-14)16-15(20-17)9-6-11-18-16/h3-9,11H,10,12-13H2,1-2H3
InChIKey
CUINLGZSVDNOLQ-UHFFFAOYSA-N
Compound name
2,2-dimethyl-4-(2-phenylethyl)-3H-pyrido[3,2-b][1,4]oxazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.15756 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.16484 164.6
[M+Na]+ 291.14678 172.3
[M-H]- 267.15028 169.5
[M+NH4]+ 286.19138 179.8
[M+K]+ 307.12072 168.7
[M+H-H2O]+ 251.15482 154.6
[M+HCOO]- 313.15576 181.4
[M+CH3COO]- 327.17141 175.6
[M+Na-2H]- 289.13223 172.1
[M]+ 268.15701 164.4
[M]- 268.15811 164.4
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.