CID 457234

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

Structural Information

Molecular Formula
C20H23N3O2
SMILES
CCC(C1=CC=C(C=C1)OC)C(C2=CC=C(C=C2)OC)N3C=NN=C3
InChI
InChI=1S/C20H23N3O2/c1-4-19(15-5-9-17(24-2)10-6-15)20(23-13-21-22-14-23)16-7-11-18(25-3)12-8-16/h5-14,19-20H,4H2,1-3H3
InChIKey
FYNPFRJKDXLIDY-UHFFFAOYSA-N
Compound name
4-[1,2-bis(4-methoxyphenyl)butyl]-1,2,4-triazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.17902 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.18630 181.4
[M+Na]+ 360.16824 187.5
[M-H]- 336.17174 187.1
[M+NH4]+ 355.21284 192.0
[M+K]+ 376.14218 183.3
[M+H-H2O]+ 320.17628 170.1
[M+HCOO]- 382.17722 200.1
[M+CH3COO]- 396.19287 211.6
[M+Na-2H]- 358.15369 182.2
[M]+ 337.17847 184.4
[M]- 337.17957 184.4
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.