CID 3053028

As-triazine, 3-ethoxy-5-phenyl-

Structural Information

Molecular Formula
C11H11N3O
SMILES
CCOC1=NC(=CN=N1)C2=CC=CC=C2
InChI
InChI=1S/C11H11N3O/c1-2-15-11-13-10(8-12-14-11)9-6-4-3-5-7-9/h3-8H,2H2,1H3
InChIKey
NPVKLMWFLRCRFP-UHFFFAOYSA-N
Compound name
3-ethoxy-5-phenyl-1,2,4-triazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

201.09021 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.09749 143.3
[M+Na]+ 224.07943 152.2
[M-H]- 200.08293 146.0
[M+NH4]+ 219.12403 158.2
[M+K]+ 240.05337 148.8
[M+H-H2O]+ 184.08747 133.8
[M+HCOO]- 246.08841 164.8
[M+CH3COO]- 260.10406 155.8
[M+Na-2H]- 222.06488 152.5
[M]+ 201.08966 144.6
[M]- 201.09076 144.6
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