CID 453977

3am-8,9-dime-6ipr-pboa-5one

Structural Information

Molecular Formula
C17H19N3O2
SMILES
CC1=CC2=C(C=C1C)OC3=C(C=C(C=N3)N)C(=O)N2C(C)C
InChI
InChI=1S/C17H19N3O2/c1-9(2)20-14-5-10(3)11(4)6-15(14)22-16-13(17(20)21)7-12(18)8-19-16/h5-9H,18H2,1-4H3
InChIKey
FHJGAWQBOVTBCY-UHFFFAOYSA-N
Compound name
3-amino-8,9-dimethyl-6-propan-2-ylpyrido[2,3-b][1,5]benzoxazepin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

297.14774 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.15502 170.4
[M+Na]+ 320.13696 179.9
[M-H]- 296.14046 175.7
[M+NH4]+ 315.18156 183.6
[M+K]+ 336.11090 181.1
[M+H-H2O]+ 280.14500 162.6
[M+HCOO]- 342.14594 186.6
[M+CH3COO]- 356.16159 181.4
[M+Na-2H]- 318.12241 174.0
[M]+ 297.14719 170.1
[M]- 297.14829 170.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.