CID 3043277

Brn 1136300

Structural Information

Molecular Formula
C17H18ClNO2
SMILES
COC1=CC=CC2=C1OCN(C2)CCC3=CC=C(C=C3)Cl
InChI
InChI=1S/C17H18ClNO2/c1-20-16-4-2-3-14-11-19(12-21-17(14)16)10-9-13-5-7-15(18)8-6-13/h2-8H,9-12H2,1H3
InChIKey
BQDJBHDBKDNKDY-UHFFFAOYSA-N
Compound name
3-[2-(4-chlorophenyl)ethyl]-8-methoxy-2,4-dihydro-1,3-benzoxazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

303.1026 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.10988 169.0
[M+Na]+ 326.09182 185.7
[M+NH4]+ 321.13642 178.5
[M+K]+ 342.06576 176.3
[M-H]- 302.09532 175.5
[M+Na-2H]- 324.07727 177.1
[M]+ 303.10205 173.8
[M]- 303.10315 173.8
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