CID 326324

501017-82-9

Structural Information

Molecular Formula
C19H17ClN2O
SMILES
C1C2=CC(=C3C=CC=NC3=C2OCN1CCC4=CC=CC=C4)Cl
InChI
InChI=1S/C19H17ClN2O/c20-17-11-15-12-22(10-8-14-5-2-1-3-6-14)13-23-19(15)18-16(17)7-4-9-21-18/h1-7,9,11H,8,10,12-13H2
InChIKey
ZYGKVGCVMPUZOC-UHFFFAOYSA-N
Compound name
6-chloro-3-(2-phenylethyl)-2,4-dihydropyrido[3,2-h][1,3]benzoxazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

1
Patents

324.10294 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.11022 175.6
[M+Na]+ 347.09216 184.2
[M-H]- 323.09566 180.8
[M+NH4]+ 342.13676 188.1
[M+K]+ 363.06610 177.8
[M+H-H2O]+ 307.10020 165.0
[M+HCOO]- 369.10114 186.5
[M+CH3COO]- 383.11679 185.5
[M+Na-2H]- 345.07761 182.4
[M]+ 324.10239 176.9
[M]- 324.10349 176.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe