CID 5288116

627529-41-3

Structural Information

Molecular Formula
C12H11N3
SMILES
C1CC2=CC(=NN=C2C3=CC=CC=C31)N
InChI
InChI=1S/C12H11N3/c13-11-7-9-6-5-8-3-1-2-4-10(8)12(9)15-14-11/h1-4,7H,5-6H2,(H2,13,14)
InChIKey
QKVREUJWFZJEJK-UHFFFAOYSA-N
Compound name
5,6-dihydrobenzo[h]cinnolin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

197.09529 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.10257 140.9
[M+Na]+ 220.08451 150.0
[M-H]- 196.08801 143.2
[M+NH4]+ 215.12911 159.2
[M+K]+ 236.05845 145.1
[M+H-H2O]+ 180.09255 132.7
[M+HCOO]- 242.09349 160.5
[M+CH3COO]- 256.10914 153.3
[M+Na-2H]- 218.06996 151.1
[M]+ 197.09474 138.1
[M]- 197.09584 138.1
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.