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 163.4
[M+Na]+ 297.11108 175.5
[M-H]- 273.11458 166.4
[M+NH4]+ 292.15568 178.6
[M+K]+ 313.08502 167.6
[M+H-H2O]+ 257.11912 153.1
[M+HCOO]- 319.12006 182.8
[M+CH3COO]- 333.13571 175.0
[M+Na-2H]- 295.09653 175.1
[M]+ 274.12131 165.1
[M]- 274.12241 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