CID 41402

Brn 1129790

Structural Information

Molecular Formula
C18H21NO2
SMILES
CCOC1=CC=CC2=C1OCN(C2)CCC3=CC=CC=C3
InChI
InChI=1S/C18H21NO2/c1-2-20-17-10-6-9-16-13-19(14-21-18(16)17)12-11-15-7-4-3-5-8-15/h3-10H,2,11-14H2,1H3
InChIKey
XMACWWZLGIDHJB-UHFFFAOYSA-N
Compound name
8-ethoxy-3-(2-phenylethyl)-2,4-dihydro-1,3-benzoxazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

283.15723 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.164506 167.2
[M+Na]+ 306.146448 173.3
[M-H]- 282.149954 173.1
[M+NH4]+ 301.191053 181.0
[M+K]+ 322.120388 170.0
[M+H-H2O]+ 266.154490 157.8
[M+HCOO]- 328.155431 185.2
[M+CH3COO]- 342.171081 178.0
[M+Na-2H]- 304.131896 173.4
[M]+ 283.15668142 168.0
[M]- 283.15777858 168.0
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

patents stripe