CID 453969

9meo-6me-pboa-5one

Structural Information

Molecular Formula
C14H12N2O3
SMILES
CN1C2=C(C=C(C=C2)OC)OC3=C(C1=O)C=CC=N3
InChI
InChI=1S/C14H12N2O3/c1-16-11-6-5-9(18-2)8-12(11)19-13-10(14(16)17)4-3-7-15-13/h3-8H,1-2H3
InChIKey
RZCMGKXPQSNVRP-UHFFFAOYSA-N
Compound name
9-methoxy-6-methylpyrido[2,3-b][1,5]benzoxazepin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

256.08478 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.09206 153.3
[M+Na]+ 279.07400 163.3
[M-H]- 255.07750 158.8
[M+NH4]+ 274.11860 168.1
[M+K]+ 295.04794 164.9
[M+H-H2O]+ 239.08204 146.0
[M+HCOO]- 301.08298 171.3
[M+CH3COO]- 315.09863 165.8
[M+Na-2H]- 277.05945 161.6
[M]+ 256.08423 154.7
[M]- 256.08533 154.7
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.