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]+ 264.159406 156.5
[M+Na]+ 286.141348 161.2
[M-H]- 262.144854 160.2
[M+NH4]+ 281.185953 171.1
[M+K]+ 302.115288 162.7
[M+H-H2O]+ 246.149390 150.2
[M+HCOO]- 308.150331 169.6
[M+CH3COO]- 322.165981 166.6
[M+Na-2H]- 284.126796 161.8
[M]+ 263.15158142 152.1
[M]- 263.15267858 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.