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

0
Patents

274.12186 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.12914 163.2
[M+Na]+ 297.11108 182.0
[M+NH4]+ 292.15568 172.7
[M+K]+ 313.08502 171.8
[M-H]- 273.11458 167.8
[M+Na-2H]- 295.09653 172.2
[M]+ 274.12131 167.5
[M]- 274.12241 167.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.