CID 13212018

88799-67-1

Structural Information

Molecular Formula
C16H18N2O
SMILES
CC1CN(C2=C(O1)C=CC=N2)CCC3=CC=CC=C3
InChI
InChI=1S/C16H18N2O/c1-13-12-18(11-9-14-6-3-2-4-7-14)16-15(19-13)8-5-10-17-16/h2-8,10,13H,9,11-12H2,1H3
InChIKey
QJFBBIXDOYUELE-UHFFFAOYSA-N
Compound name
2-methyl-4-(2-phenylethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.1419 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.14918 159.9
[M+Na]+ 277.13112 167.0
[M-H]- 253.13462 164.6
[M+NH4]+ 272.17572 173.6
[M+K]+ 293.10506 163.3
[M+H-H2O]+ 237.13916 150.0
[M+HCOO]- 299.14010 177.0
[M+CH3COO]- 313.15575 170.9
[M+Na-2H]- 275.11657 167.0
[M]+ 254.14135 159.1
[M]- 254.14245 159.1
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.