CID 453990

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

Structural Information

Molecular Formula
C16H15N3O3
SMILES
CC1=CC(=C2C(=C1)OC3=C(C=CC=N3)C(=O)N2C)C(=N)OC
InChI
InChI=1S/C16H15N3O3/c1-9-7-11(14(17)21-3)13-12(8-9)22-15-10(5-4-6-18-15)16(20)19(13)2/h4-8,17H,1-3H3
InChIKey
LEHIHURYTFEZGS-UHFFFAOYSA-N
Compound name
methyl 6,9-dimethyl-5-oxopyrido[2,3-b][1,5]benzoxazepine-7-carboximidate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

297.11133 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.11861 167.1
[M+Na]+ 320.10055 176.3
[M-H]- 296.10405 172.8
[M+NH4]+ 315.14515 180.2
[M+K]+ 336.07449 178.1
[M+H-H2O]+ 280.10859 159.3
[M+HCOO]- 342.10953 184.6
[M+CH3COO]- 356.12518 178.4
[M+Na-2H]- 318.08600 173.0
[M]+ 297.11078 167.7
[M]- 297.11188 167.7
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.