CID 453992

6,9-dime-7meoh-pboa-5one

Structural Information

Molecular Formula
C15H14N2O3
SMILES
CC1=CC(=C2C(=C1)OC3=C(C=CC=N3)C(=O)N2C)CO
InChI
InChI=1S/C15H14N2O3/c1-9-6-10(8-18)13-12(7-9)20-14-11(4-3-5-16-14)15(19)17(13)2/h3-7,18H,8H2,1-2H3
InChIKey
KDRBBTACRJGQHR-UHFFFAOYSA-N
Compound name
7-(hydroxymethyl)-6,9-dimethylpyrido[2,3-b][1,5]benzoxazepin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

270.10043 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.10771 159.0
[M+Na]+ 293.08965 169.0
[M-H]- 269.09315 163.4
[M+NH4]+ 288.13425 172.9
[M+K]+ 309.06359 169.9
[M+H-H2O]+ 253.09769 151.9
[M+HCOO]- 315.09863 175.2
[M+CH3COO]- 329.11428 170.7
[M+Na-2H]- 291.07510 165.6
[M]+ 270.09988 159.5
[M]- 270.10098 159.5
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.