CID 326315

Nsc297355

Structural Information

Molecular Formula
C19H18N2O2
SMILES
COC1=CC=C(C=C1)CN2CC3=C(C4=C(C=CC=N4)C=C3)OC2
InChI
InChI=1S/C19H18N2O2/c1-22-17-8-4-14(5-9-17)11-21-12-16-7-6-15-3-2-10-20-18(15)19(16)23-13-21/h2-10H,11-13H2,1H3
InChIKey
OKBYFSXSUDAQFL-UHFFFAOYSA-N
Compound name
3-[(4-methoxyphenyl)methyl]-2,4-dihydropyrido[3,2-h][1,3]benzoxazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

306.13684 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.14412 172.2
[M+Na]+ 329.12606 180.0
[M-H]- 305.12956 177.9
[M+NH4]+ 324.17066 184.5
[M+K]+ 345.10000 175.6
[M+H-H2O]+ 289.13410 161.2
[M+HCOO]- 351.13504 188.0
[M+CH3COO]- 365.15069 182.5
[M+Na-2H]- 327.11151 179.7
[M]+ 306.13629 172.7
[M]- 306.13739 172.7
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.