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

1
Patents

283.15723 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.16451 167.2
[M+Na]+ 306.14645 173.3
[M-H]- 282.14995 173.1
[M+NH4]+ 301.19105 181.0
[M+K]+ 322.12039 170.0
[M+H-H2O]+ 266.15449 157.8
[M+HCOO]- 328.15543 185.2
[M+CH3COO]- 342.17108 178.0
[M+Na-2H]- 304.13190 173.4
[M]+ 283.15668 168.0
[M]- 283.15778 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