CID 6410407

1,2,4-triazino[5,6-c]quinoline, 3-methoxy-

Structural Information

Molecular Formula
C11H8N4O
SMILES
COC1=NC2=C(C3=CC=CC=C3N=C2)N=N1
InChI
InChI=1S/C11H8N4O/c1-16-11-13-9-6-12-8-5-3-2-4-7(8)10(9)14-15-11/h2-6H,1H3
InChIKey
FCRFQJXTTSSYQP-UHFFFAOYSA-N
Compound name
3-methoxy-[1,2,4]triazino[5,6-c]quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

212.06981 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.07709 145.2
[M+Na]+ 235.05903 157.5
[M-H]- 211.06253 145.9
[M+NH4]+ 230.10363 160.6
[M+K]+ 251.03297 152.6
[M+H-H2O]+ 195.06707 135.4
[M+HCOO]- 257.06801 164.7
[M+CH3COO]- 271.08366 157.9
[M+Na-2H]- 233.04448 158.1
[M]+ 212.06926 148.7
[M]- 212.07036 148.7
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.