CID 3053045

As-triazine, 3-(allyloxy)-5-phenyl-

Structural Information

Molecular Formula
C12H11N3O
SMILES
C=CCOC1=NC(=CN=N1)C2=CC=CC=C2
InChI
InChI=1S/C12H11N3O/c1-2-8-16-12-14-11(9-13-15-12)10-6-4-3-5-7-10/h2-7,9H,1,8H2
InChIKey
OMSTUZAGATUSPG-UHFFFAOYSA-N
Compound name
5-phenyl-3-prop-2-enoxy-1,2,4-triazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

213.09021 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.097486 146.8
[M+Na]+ 236.079428 155.6
[M-H]- 212.082934 149.3
[M+NH4]+ 231.124033 161.1
[M+K]+ 252.053368 151.3
[M+H-H2O]+ 196.087470 137.1
[M+HCOO]- 258.088411 168.2
[M+CH3COO]- 272.104061 186.6
[M+Na-2H]- 234.064876 155.4
[M]+ 213.08966142 147.7
[M]- 213.09075858 147.7
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