CID 453985

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

Structural Information

Molecular Formula
C15H11N3O2
SMILES
CC1=CC(=C2C(=C1)OC3=C(C=CC=N3)C(=O)N2C)C#N
InChI
InChI=1S/C15H11N3O2/c1-9-6-10(8-16)13-12(7-9)20-14-11(4-3-5-17-14)15(19)18(13)2/h3-7H,1-2H3
InChIKey
WVVQRRCTXQZQNC-UHFFFAOYSA-N
Compound name
6,9-dimethyl-5-oxopyrido[2,3-b][1,5]benzoxazepine-7-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

265.0851 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.092376 157.1
[M+Na]+ 288.074318 169.3
[M-H]- 264.077824 161.0
[M+NH4]+ 283.118923 170.0
[M+K]+ 304.048258 167.6
[M+H-H2O]+ 248.082360 143.4
[M+HCOO]- 310.083301 171.3
[M+CH3COO]- 324.098951 167.6
[M+Na-2H]- 286.059766 163.2
[M]+ 265.08455142 152.6
[M]- 265.08564858 152.6
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.