CID 5742643

N,n-diallyl-[1,2,4]triazino[5,6-c]quinolin-3-amine

Structural Information

Molecular Formula
C16H15N5
SMILES
C=CCN(CC=C)C1=NC2=C(C3=CC=CC=C3N=C2)N=N1
InChI
InChI=1S/C16H15N5/c1-3-9-21(10-4-2)16-18-14-11-17-13-8-6-5-7-12(13)15(14)19-20-16/h3-8,11H,1-2,9-10H2
InChIKey
WFNBJZBSMGYAMJ-UHFFFAOYSA-N
Compound name
N,N-bis(prop-2-enyl)-[1,2,4]triazino[5,6-c]quinolin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

277.13275 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.14003 165.9
[M+Na]+ 300.12197 175.9
[M-H]- 276.12547 167.1
[M+NH4]+ 295.16657 178.8
[M+K]+ 316.09591 169.3
[M+H-H2O]+ 260.13001 154.9
[M+HCOO]- 322.13095 185.5
[M+CH3COO]- 336.14660 176.6
[M+Na-2H]- 298.10742 176.2
[M]+ 277.13220 168.9
[M]- 277.13330 168.9
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.