CID 200944

2,3-dihydro-2-ethyl-3-iminophenathro(9,10-e)-as-triazine monohydrochloride

Structural Information

Molecular Formula
C17H14N4
SMILES
CCN1C(=N)N=C2C3=CC=CC=C3C4=CC=CC=C4C2=N1
InChI
InChI=1S/C17H14N4/c1-2-21-17(18)19-15-13-9-5-3-7-11(13)12-8-4-6-10-14(12)16(15)20-21/h3-10,18H,2H2,1H3
InChIKey
RFFHHYKXIVALMP-UHFFFAOYSA-N
Compound name
2-ethylphenanthro[9,10-e][1,2,4]triazin-3-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

274.12186 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.129136 163.4
[M+Na]+ 297.111078 175.5
[M-H]- 273.114584 166.4
[M+NH4]+ 292.155683 178.6
[M+K]+ 313.085018 167.6
[M+H-H2O]+ 257.119120 153.1
[M+HCOO]- 319.120061 182.8
[M+CH3COO]- 333.135711 175.0
[M+Na-2H]- 295.096526 175.1
[M]+ 274.12131142 165.1
[M]- 274.12240858 165.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe