CID 321684

Nsc274560

Structural Information

Molecular Formula
C20H20N2O2
SMILES
CC1=CC2=C(C3=C1C=CC=N3)OCN(C2)CC4=CC=C(C=C4)OC
InChI
InChI=1S/C20H20N2O2/c1-14-10-16-12-22(11-15-5-7-17(23-2)8-6-15)13-24-20(16)19-18(14)4-3-9-21-19/h3-10H,11-13H2,1-2H3
InChIKey
UHZFROOPBQWGTM-UHFFFAOYSA-N
Compound name
3-[(4-methoxyphenyl)methyl]-6-methyl-2,4-dihydropyrido[3,2-h][1,3]benzoxazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

320.15247 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.15975 177.8
[M+Na]+ 343.14169 186.1
[M-H]- 319.14519 183.7
[M+NH4]+ 338.18629 189.9
[M+K]+ 359.11563 181.5
[M+H-H2O]+ 303.14973 166.8
[M+HCOO]- 365.15067 193.2
[M+CH3COO]- 379.16632 188.0
[M+Na-2H]- 341.12714 184.0
[M]+ 320.15192 179.1
[M]- 320.15302 179.1
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

patents stripe