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]+ 278.140026 165.9
[M+Na]+ 300.121968 175.9
[M-H]- 276.125474 167.1
[M+NH4]+ 295.166573 178.8
[M+K]+ 316.095908 169.3
[M+H-H2O]+ 260.130010 154.9
[M+HCOO]- 322.130951 185.5
[M+CH3COO]- 336.146601 176.6
[M+Na-2H]- 298.107416 176.2
[M]+ 277.13220142 168.9
[M]- 277.13329858 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.