CID 471109

1-methyl-3-aminoquino[8,1-bc][1,4]benzoxazepinone

Structural Information

Molecular Formula
C18H17NO2
SMILES
CC1CCC2=C3C1C(=O)C4=CC=CC=C4OC3=CC(=C2)N
InChI
InChI=1S/C18H17NO2/c1-10-6-7-11-8-12(19)9-15-17(11)16(10)18(20)13-4-2-3-5-14(13)21-15/h2-5,8-10,16H,6-7,19H2,1H3
InChIKey
HRWBZSRUDXTMNM-UHFFFAOYSA-N
Compound name
16-amino-11-methyl-2-oxatetracyclo[8.7.1.03,8.014,18]octadeca-1(17),3,5,7,14(18),15-hexaen-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.12592 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.133196 163.0
[M+Na]+ 302.115138 170.8
[M-H]- 278.118644 170.3
[M+NH4]+ 297.159743 180.2
[M+K]+ 318.089078 170.7
[M+H-H2O]+ 262.123180 158.1
[M+HCOO]- 324.124121 179.4
[M+CH3COO]- 338.139771 174.4
[M+Na-2H]- 300.100586 169.3
[M]+ 279.12537142 160.1
[M]- 279.12646858 160.1
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.