CID 3007376

104940-92-3

Structural Information

Molecular Formula
C12H11N3O2
SMILES
COC1=CC=C(C=C1)C(=O)C(=C)N2C=NC=N2
InChI
InChI=1S/C12H11N3O2/c1-9(15-8-13-7-14-15)12(16)10-3-5-11(17-2)6-4-10/h3-8H,1H2,2H3
InChIKey
ZNORLGJDLFICNZ-UHFFFAOYSA-N
Compound name
1-(4-methoxyphenyl)-2-(1,2,4-triazol-1-yl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

229.08513 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.09241 149.6
[M+Na]+ 252.07435 157.8
[M-H]- 228.07785 152.7
[M+NH4]+ 247.11895 164.8
[M+K]+ 268.04829 155.0
[M+H-H2O]+ 212.08239 140.5
[M+HCOO]- 274.08333 170.3
[M+CH3COO]- 288.09898 189.3
[M+Na-2H]- 250.05980 153.1
[M]+ 229.08458 150.9
[M]- 229.08568 150.9
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

No patent data available for this compound.