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 185.1
[M+Na]+ 374.15875 192.0
[M-H]- 350.16225 189.8
[M+NH4]+ 369.20335 191.3
[M+K]+ 390.13269 184.7
[M+H-H2O]+ 334.16679 171.9
[M+HCOO]- 396.16773 198.7
[M+CH3COO]- 410.18338 192.9
[M+Na-2H]- 372.14420 185.5
[M]+ 351.16898 181.2
[M]- 351.17008 181.2
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