CID 206931

28889-33-0

Structural Information

Molecular Formula
C11H10N2O
SMILES
C1CN2C=CC3=C2C(=CC=C3)C(=O)N1
InChI
InChI=1S/C11H10N2O/c14-11-9-3-1-2-8-4-6-13(10(8)9)7-5-12-11/h1-4,6H,5,7H2,(H,12,14)
InChIKey
QRHVTJIEPZZTNF-UHFFFAOYSA-N
Compound name
1,10-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

22
Patents

186.07932 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.08660 134.7
[M+Na]+ 209.06854 146.3
[M+NH4]+ 204.11314 143.0
[M+K]+ 225.04248 142.8
[M-H]- 185.07204 135.6
[M+Na-2H]- 207.05399 140.0
[M]+ 186.07877 136.6
[M]- 186.07987 136.6
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

patents stripe