CID 3064616

Benzo(6,7)cyclohept(1,2-b)(1,4)oxazine, 2,3,4,4a,5,6,7,11b-octahydro-9,10-dimethoxy-, (e)-

Structural Information

Molecular Formula
C15H21NO3
SMILES
COC1=C(C=C2[C@H]3[C@H](CCCC2=C1)NCCO3)OC
InChI
InChI=1S/C15H21NO3/c1-17-13-8-10-4-3-5-12-15(19-7-6-16-12)11(10)9-14(13)18-2/h8-9,12,15-16H,3-7H2,1-2H3/t12-,15-/m0/s1
InChIKey
ZJDBJTYCZVEKEL-WFASDCNBSA-N
Compound name
(2S,7S)-13,14-dimethoxy-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

263.15213 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.15941 156.5
[M+Na]+ 286.14135 161.2
[M-H]- 262.14485 160.2
[M+NH4]+ 281.18595 171.1
[M+K]+ 302.11529 162.7
[M+H-H2O]+ 246.14939 150.2
[M+HCOO]- 308.15033 169.6
[M+CH3COO]- 322.16598 166.6
[M+Na-2H]- 284.12680 161.8
[M]+ 263.15158 152.1
[M]- 263.15268 152.1
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.