CID 24832329

Brn 6518982

Structural Information

Molecular Formula
C14H15N3O2
SMILES
CC(=O)NN1C2=C3C=CC=CC3CCC2=CC(=O)N1
InChI
InChI=1S/C14H15N3O2/c1-9(18)15-17-14-11(8-13(19)16-17)7-6-10-4-2-3-5-12(10)14/h2-5,8,10H,6-7H2,1H3,(H,15,18)(H,16,19)
InChIKey
OMPBGCBRBUBPJZ-UHFFFAOYSA-N
Compound name
N-(3-oxo-2,5,6,6a-tetrahydrobenzo[h]cinnolin-1-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.11642 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.12370 157.1
[M+Na]+ 280.10564 163.8
[M-H]- 256.10914 157.8
[M+NH4]+ 275.15024 172.2
[M+K]+ 296.07958 158.9
[M+H-H2O]+ 240.11368 148.9
[M+HCOO]- 302.11462 171.9
[M+CH3COO]- 316.13027 167.0
[M+Na-2H]- 278.09109 162.9
[M]+ 257.11587 152.4
[M]- 257.11697 152.4
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.