CID 3068028

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

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]+ 323.150246 175.8
[M+Na]+ 345.132188 182.3
[M-H]- 321.135694 182.2
[M+NH4]+ 340.176793 183.1
[M+K]+ 361.106128 177.2
[M+H-H2O]+ 305.140230 163.5
[M+HCOO]- 367.141171 190.2
[M+CH3COO]- 381.156821 184.7
[M+Na-2H]- 343.117636 177.9
[M]+ 322.14242142 172.1
[M]- 322.14351858 172.1
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.