CID 6410406

Ethanol, 2-(1,2,4-triazino[5,6-c]quinolin-3-ylamino)-

Structural Information

Molecular Formula
C12H11N5O
SMILES
C1=CC=C2C(=C1)C3=C(C=N2)N=C(N=N3)NCCO
InChI
InChI=1S/C12H11N5O/c18-6-5-13-12-15-10-7-14-9-4-2-1-3-8(9)11(10)16-17-12/h1-4,7,18H,5-6H2,(H,13,15,17)
InChIKey
LSZXEEVRWGCKQZ-UHFFFAOYSA-N
Compound name
2-([1,2,4]triazino[5,6-c]quinolin-3-ylamino)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

241.09636 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.103636 152.3
[M+Na]+ 264.085578 162.8
[M-H]- 240.089084 151.5
[M+NH4]+ 259.130183 165.5
[M+K]+ 280.059518 156.8
[M+H-H2O]+ 224.093620 142.6
[M+HCOO]- 286.094561 171.1
[M+CH3COO]- 300.110211 163.4
[M+Na-2H]- 262.071026 165.2
[M]+ 241.09581142 153.8
[M]- 241.09690858 153.8
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.