CID 3068021

2-(5-((2-methoxyphenyl)amino)-4-phenyl-4h-1,2,4-triazol-3-yl)phenol

Structural Information

Molecular Formula
C21H18N4O2
SMILES
COC1=CC=CC=C1NC2=NN=C(N2C3=CC=CC=C3)C4=CC=CC=C4O
InChI
InChI=1S/C21H18N4O2/c1-27-19-14-8-6-12-17(19)22-21-24-23-20(16-11-5-7-13-18(16)26)25(21)15-9-3-2-4-10-15/h2-14,26H,1H3,(H,22,24)
InChIKey
LGUHVWHULSFSCX-UHFFFAOYSA-N
Compound name
2-[5-(2-methoxyanilino)-4-phenyl-1,2,4-triazol-3-yl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

358.14297 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.15025 183.8
[M+Na]+ 381.13219 191.8
[M-H]- 357.13569 192.2
[M+NH4]+ 376.17679 192.5
[M+K]+ 397.10613 184.8
[M+H-H2O]+ 341.14023 171.9
[M+HCOO]- 403.14117 204.8
[M+CH3COO]- 417.15682 193.6
[M+Na-2H]- 379.11764 187.6
[M]+ 358.14242 184.1
[M]- 358.14352 184.1
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.