CID 22743441

Einecs 285-417-8

Structural Information

Molecular Formula
C19H23N5O2
SMILES
COC1=CC=C(C=C1)N2CCN(CC2)C3=CC=C(C=C3)N4CNNC4=O
InChI
InChI=1S/C19H23N5O2/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/h2-9,20H,10-14H2,1H3,(H,21,25)
InChIKey
PXRJSUORGQNZKX-UHFFFAOYSA-N
Compound name
4-[4-[4-(4-methoxyphenyl)piperazin-1-yl]phenyl]-1,2,4-triazolidin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

353.18518 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.192456 187.3
[M+Na]+ 376.174398 191.8
[M-H]- 352.177904 190.0
[M+NH4]+ 371.219003 192.6
[M+K]+ 392.148338 184.3
[M+H-H2O]+ 336.182440 174.4
[M+HCOO]- 398.183381 196.8
[M+CH3COO]- 412.199031 193.4
[M+Na-2H]- 374.159846 185.4
[M]+ 353.18463142 179.0
[M]- 353.18572858 179.0
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