CID 471105

10-aminoquino[8,1-bc][1,4]benzoxazepinone

Structural Information

Molecular Formula
C17H15NO2
SMILES
C1CC2C3=C(C1)C=CC=C3OC4=C(C2=O)C=C(C=C4)N
InChI
InChI=1S/C17H15NO2/c18-11-7-8-14-13(9-11)17(19)12-5-1-3-10-4-2-6-15(20-14)16(10)12/h2,4,6-9,12H,1,3,5,18H2
InChIKey
VBLVTTYASPIXDF-UHFFFAOYSA-N
Compound name
6-amino-2-oxatetracyclo[8.7.1.03,8.014,18]octadeca-1(17),3(8),4,6,14(18),15-hexaen-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.1103 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.11758 157.7
[M+Na]+ 288.09952 165.1
[M-H]- 264.10302 164.9
[M+NH4]+ 283.14412 175.2
[M+K]+ 304.07346 165.0
[M+H-H2O]+ 248.10756 152.8
[M+HCOO]- 310.10850 174.6
[M+CH3COO]- 324.12415 169.3
[M+Na-2H]- 286.08497 165.3
[M]+ 265.10975 154.2
[M]- 265.11085 154.2
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.