CID 3066356

Brn 6521192

Structural Information

Molecular Formula
C14H15N3O2
SMILES
CC(=O)NC1=CC2=C(CCC3C2=NNC(=O)C3)C=C1
InChI
InChI=1S/C14H15N3O2/c1-8(18)15-11-5-4-9-2-3-10-6-13(19)16-17-14(10)12(9)7-11/h4-5,7,10H,2-3,6H2,1H3,(H,15,18)(H,16,19)
InChIKey
XPPBDPTVSUGZKT-UHFFFAOYSA-N
Compound name
N-(3-oxo-4,4a,5,6-tetrahydro-2H-benzo[h]cinnolin-9-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

257.11642 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.12370 158.1
[M+Na]+ 280.10564 169.9
[M+NH4]+ 275.15024 165.6
[M+K]+ 296.07958 163.6
[M-H]- 256.10914 159.7
[M+Na-2H]- 278.09109 161.9
[M]+ 257.11587 159.9
[M]- 257.11697 159.9
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.