CID 3072161

141079-07-4

Structural Information

Molecular Formula
C23H19Cl2N3O
SMILES
CC1=CC=C(C=C1)N2C(=NN=C2C3=CC=C(C=C3)Cl)COC4=CC(=C(C=C4)Cl)C
InChI
InChI=1S/C23H19Cl2N3O/c1-15-3-9-19(10-4-15)28-22(14-29-20-11-12-21(25)16(2)13-20)26-27-23(28)17-5-7-18(24)8-6-17/h3-13H,14H2,1-2H3
InChIKey
OMEHJZPXXLTGQM-UHFFFAOYSA-N
Compound name
3-[(4-chloro-3-methylphenoxy)methyl]-5-(4-chlorophenyl)-4-(4-methylphenyl)-1,2,4-triazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

423.0905 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 424.09778 202.6
[M+Na]+ 446.07972 222.8
[M+NH4]+ 441.12432 211.0
[M+K]+ 462.05366 212.9
[M-H]- 422.08322 210.3
[M+Na-2H]- 444.06517 214.3
[M]+ 423.08995 208.7
[M]- 423.09105 208.7
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

No patent data available for this compound.