CID 457226

1-[1,2-bis(4-methoxyphenyl)ethyl]-1,2,4-triazole

Structural Information

Molecular Formula
C18H19N3O2
SMILES
COC1=CC=C(C=C1)CC(C2=CC=C(C=C2)OC)N3C=NC=N3
InChI
InChI=1S/C18H19N3O2/c1-22-16-7-3-14(4-8-16)11-18(21-13-19-12-20-21)15-5-9-17(23-2)10-6-15/h3-10,12-13,18H,11H2,1-2H3
InChIKey
XGOKXWRXRYJHCF-UHFFFAOYSA-N
Compound name
1-[1,2-bis(4-methoxyphenyl)ethyl]-1,2,4-triazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.14774 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.15502 172.6
[M+Na]+ 332.13696 179.9
[M-H]- 308.14046 178.4
[M+NH4]+ 327.18156 184.4
[M+K]+ 348.11090 175.5
[M+H-H2O]+ 292.14500 161.5
[M+HCOO]- 354.14594 193.0
[M+CH3COO]- 368.16159 183.2
[M+Na-2H]- 330.12241 175.5
[M]+ 309.14719 175.5
[M]- 309.14829 175.5
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.