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]+ 242.10364 152.3
[M+Na]+ 264.08558 162.8
[M-H]- 240.08908 151.5
[M+NH4]+ 259.13018 165.5
[M+K]+ 280.05952 156.8
[M+H-H2O]+ 224.09362 142.6
[M+HCOO]- 286.09456 171.1
[M+CH3COO]- 300.11021 163.4
[M+Na-2H]- 262.07103 165.2
[M]+ 241.09581 153.8
[M]- 241.09691 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.