CID 135437607

2-{5-[2-(4-methoxy-phenyl)-vinyl]-2-phenyl-2h-[1,2,4]triazol-3-yl}-phenol

Structural Information

Molecular Formula
C23H19N3O2
SMILES
COC1=CC=C(C=C1)/C=C/C2=NN(C(=N2)C3=CC=CC=C3O)C4=CC=CC=C4
InChI
InChI=1S/C23H19N3O2/c1-28-19-14-11-17(12-15-19)13-16-22-24-23(20-9-5-6-10-21(20)27)26(25-22)18-7-3-2-4-8-18/h2-16,27H,1H3/b16-13+
InChIKey
RZHQXFXLIKOEAO-DTQAZKPQSA-N
Compound name
2-[5-[(E)-2-(4-methoxyphenyl)ethenyl]-2-phenyl-1,2,4-triazol-3-yl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

369.14774 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.15502 190.1
[M+Na]+ 392.13696 198.4
[M-H]- 368.14046 198.0
[M+NH4]+ 387.18156 198.6
[M+K]+ 408.11090 190.4
[M+H-H2O]+ 352.14500 178.0
[M+HCOO]- 414.14594 209.4
[M+CH3COO]- 428.16159 199.4
[M+Na-2H]- 390.12241 191.6
[M]+ 369.14719 190.6
[M]- 369.14829 190.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.