CID 453989

140413-32-7

Structural Information

Molecular Formula
C15H13N3O3
SMILES
CC1=CC(=C2C(=C1)OC3=C(C=CC=N3)C(=O)N2C)C(=O)N
InChI
InChI=1S/C15H13N3O3/c1-8-6-10(13(16)19)12-11(7-8)21-14-9(4-3-5-17-14)15(20)18(12)2/h3-7H,1-2H3,(H2,16,19)
InChIKey
DHIHZKCNOJLXKW-UHFFFAOYSA-N
Compound name
6,9-dimethyl-5-oxopyrido[2,3-b][1,5]benzoxazepine-7-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

283.0957 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.10298 162.9
[M+Na]+ 306.08492 172.4
[M-H]- 282.08842 168.2
[M+NH4]+ 301.12952 176.2
[M+K]+ 322.05886 174.2
[M+H-H2O]+ 266.09296 155.2
[M+HCOO]- 328.09390 180.1
[M+CH3COO]- 342.10955 174.3
[M+Na-2H]- 304.07037 168.3
[M]+ 283.09515 162.3
[M]- 283.09625 162.3
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.