CID 326322

41957-82-8

Structural Information

Molecular Formula
C18H15ClN2O
SMILES
C1C2=CC(=C3C=CC=NC3=C2OCN1CC4=CC=CC=C4)Cl
InChI
InChI=1S/C18H15ClN2O/c19-16-9-14-11-21(10-13-5-2-1-3-6-13)12-22-18(14)17-15(16)7-4-8-20-17/h1-9H,10-12H2
InChIKey
KESMFLPMOPKQCF-UHFFFAOYSA-N
Compound name
3-benzyl-6-chloro-2,4-dihydropyrido[3,2-h][1,3]benzoxazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.08728 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.09456 170.9
[M+Na]+ 333.07650 180.0
[M-H]- 309.08000 176.4
[M+NH4]+ 328.12110 184.1
[M+K]+ 349.05044 173.8
[M+H-H2O]+ 293.08454 160.6
[M+HCOO]- 355.08548 182.2
[M+CH3COO]- 369.10113 181.3
[M+Na-2H]- 331.06195 178.3
[M]+ 310.08673 172.0
[M]- 310.08783 172.0
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.