CID 3064614

(e)-2,3,4,4a,5,6,7,11b-octahydro-2-phenylbenzo(6,7)cyclohept(1,2-b)(1,4)oxazine

Structural Information

Molecular Formula
C19H21NO
SMILES
C1CC2C(C3=CC=CC=C3C1)OC(CN2)C4=CC=CC=C4
InChI
InChI=1S/C19H21NO/c1-2-8-15(9-3-1)18-13-20-17-12-6-10-14-7-4-5-11-16(14)19(17)21-18/h1-5,7-9,11,17-20H,6,10,12-13H2
InChIKey
QOADKGLIELJCRC-UHFFFAOYSA-N
Compound name
4-phenyl-3-oxa-6-azatricyclo[9.4.0.02,7]pentadeca-1(15),11,13-triene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.16232 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.16960 164.1
[M+Na]+ 302.15154 168.1
[M-H]- 278.15504 170.2
[M+NH4]+ 297.19614 177.4
[M+K]+ 318.12548 166.6
[M+H-H2O]+ 262.15958 156.8
[M+HCOO]- 324.16052 176.9
[M+CH3COO]- 338.17617 173.3
[M+Na-2H]- 300.13699 169.7
[M]+ 279.16177 155.4
[M]- 279.16287 155.4
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.