CID 3007424

3-methoxy-2-(1h-1,2,4-triazol-1-yl)-4'-methoxypropiophenone

Structural Information

Molecular Formula
C13H15N3O3
SMILES
COCC(C(=O)C1=CC=C(C=C1)OC)N2C=NC=N2
InChI
InChI=1S/C13H15N3O3/c1-18-7-12(16-9-14-8-15-16)13(17)10-3-5-11(19-2)6-4-10/h3-6,8-9,12H,7H2,1-2H3
InChIKey
CGKBFQNXHHEDCL-UHFFFAOYSA-N
Compound name
3-methoxy-1-(4-methoxyphenyl)-2-(1,2,4-triazol-1-yl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

261.11133 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.11861 157.9
[M+Na]+ 284.10055 165.1
[M-H]- 260.10405 160.7
[M+NH4]+ 279.14515 171.8
[M+K]+ 300.07449 163.3
[M+H-H2O]+ 244.10859 148.3
[M+HCOO]- 306.10953 178.2
[M+CH3COO]- 320.12518 195.2
[M+Na-2H]- 282.08600 160.9
[M]+ 261.11078 161.5
[M]- 261.11188 161.5
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.