CID 3009095

1-[2-[(2,4-dichlorophenyl)methoxy]-2-(3,4-dimethoxyphenyl)ethyl]-1,2,4-triazole

Structural Information

Molecular Formula
C19H19Cl2N3O3
SMILES
COC1=C(C=C(C=C1)C(CN2C=NC=N2)OCC3=C(C=C(C=C3)Cl)Cl)OC
InChI
InChI=1S/C19H19Cl2N3O3/c1-25-17-6-4-13(7-18(17)26-2)19(9-24-12-22-11-23-24)27-10-14-3-5-15(20)8-16(14)21/h3-8,11-12,19H,9-10H2,1-2H3
InChIKey
JXIOELHVIUBBEK-UHFFFAOYSA-N
Compound name
1-[2-[(2,4-dichlorophenyl)methoxy]-2-(3,4-dimethoxyphenyl)ethyl]-1,2,4-triazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

407.08035 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.08763 190.7
[M+Na]+ 430.06957 200.0
[M-H]- 406.07307 196.0
[M+NH4]+ 425.11417 200.3
[M+K]+ 446.04351 193.9
[M+H-H2O]+ 390.07761 179.9
[M+HCOO]- 452.07855 200.9
[M+CH3COO]- 466.09420 219.7
[M+Na-2H]- 428.05502 190.5
[M]+ 407.07980 199.3
[M]- 407.08090 199.3
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.