CID 4246597

74853-07-9

Structural Information

Molecular Formula
C19H21N5O2
SMILES
COC1=CC=C(C=C1)N2CCN(CC2)C3=CC=C(C=C3)N4C=NNC4=O
InChI
InChI=1S/C19H21N5O2/c1-26-18-8-6-16(7-9-18)23-12-10-22(11-13-23)15-2-4-17(5-3-15)24-14-20-21-19(24)25/h2-9,14H,10-13H2,1H3,(H,21,25)
InChIKey
SEHQVBVJJRRRSG-UHFFFAOYSA-N
Compound name
4-[4-[4-(4-methoxyphenyl)piperazin-1-yl]phenyl]-1H-1,2,4-triazol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

143
Patents

351.16953 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.17681 184.9
[M+Na]+ 374.15875 199.7
[M+NH4]+ 369.20335 190.5
[M+K]+ 390.13269 194.4
[M-H]- 350.16225 189.3
[M+Na-2H]- 372.14420 194.0
[M]+ 351.16898 188.1
[M]- 351.17008 188.1
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

patents stripe