CID 453988

140413-31-6

Structural Information

Molecular Formula
C16H14N2O4
SMILES
CC1=CC(=C2C(=C1)OC3=C(C=CC=N3)C(=O)N2C)C(=O)OC
InChI
InChI=1S/C16H14N2O4/c1-9-7-11(16(20)21-3)13-12(8-9)22-14-10(5-4-6-17-14)15(19)18(13)2/h4-8H,1-3H3
InChIKey
MJMDFEZUPZGSHT-UHFFFAOYSA-N
Compound name
methyl 6,9-dimethyl-5-oxopyrido[2,3-b][1,5]benzoxazepine-7-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

298.09537 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.10265 164.0
[M+Na]+ 321.08459 173.8
[M-H]- 297.08809 169.7
[M+NH4]+ 316.12919 177.3
[M+K]+ 337.05853 176.0
[M+H-H2O]+ 281.09263 156.5
[M+HCOO]- 343.09357 180.7
[M+CH3COO]- 357.10922 206.6
[M+Na-2H]- 319.07004 169.6
[M]+ 298.09482 166.5
[M]- 298.09592 166.5
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.