CID 3068028

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

Structural Information

Molecular Formula
C18H18N4O2
SMILES
C1COCCN1C2=NN=C(N2C3=CC=CC=C3)C4=CC=CC=C4O
InChI
InChI=1S/C18H18N4O2/c23-16-9-5-4-8-15(16)17-19-20-18(21-10-12-24-13-11-21)22(17)14-6-2-1-3-7-14/h1-9,23H,10-13H2
InChIKey
PMRPVWPJPPMJPQ-UHFFFAOYSA-N
Compound name
2-(5-morpholin-4-yl-4-phenyl-1,2,4-triazol-3-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

322.14297 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.15025 176.7
[M+Na]+ 345.13219 192.1
[M+NH4]+ 340.17679 183.5
[M+K]+ 361.10613 186.8
[M-H]- 321.13569 183.4
[M+Na-2H]- 343.11764 186.3
[M]+ 322.14242 180.8
[M]- 322.14352 180.8
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.