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]+ 280.169596 164.1
[M+Na]+ 302.151538 168.1
[M-H]- 278.155044 170.2
[M+NH4]+ 297.196143 177.4
[M+K]+ 318.125478 166.6
[M+H-H2O]+ 262.159580 156.8
[M+HCOO]- 324.160521 176.9
[M+CH3COO]- 338.176171 173.3
[M+Na-2H]- 300.136986 169.7
[M]+ 279.16177142 155.4
[M]- 279.16286858 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.