CID 3078593

Brn 6528287

Structural Information

Molecular Formula
C15H16ClN3O2
SMILES
CC(C(=O)NC1=CC2=C(C=C1)C3=NNC(=O)CC3CC2)Cl
InChI
InChI=1S/C15H16ClN3O2/c1-8(16)15(21)17-11-4-5-12-9(6-11)2-3-10-7-13(20)18-19-14(10)12/h4-6,8,10H,2-3,7H2,1H3,(H,17,21)(H,18,20)
InChIKey
MMJIKWMAZJJCQO-UHFFFAOYSA-N
Compound name
2-chloro-N-(3-oxo-4,4a,5,6-tetrahydro-2H-benzo[h]cinnolin-8-yl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

305.0931 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.10038 167.0
[M+Na]+ 328.08232 173.6
[M-H]- 304.08582 167.3
[M+NH4]+ 323.12692 180.9
[M+K]+ 344.05626 167.6
[M+H-H2O]+ 288.09036 159.5
[M+HCOO]- 350.09130 175.9
[M+CH3COO]- 364.10695 176.0
[M+Na-2H]- 326.06777 170.7
[M]+ 305.09255 164.3
[M]- 305.09365 164.3
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.