CID 3803007

4-phenyl-n-[4-(1h-1,2,4-triazol-1-yl)phenyl]-1-piperazineacetamide

Structural Information

Molecular Formula
C20H22N6O
SMILES
C1CN(CCN1CC(=O)NC2=CC=C(C=C2)N3C=NC=N3)C4=CC=CC=C4
InChI
InChI=1S/C20H22N6O/c27-20(23-17-6-8-19(9-7-17)26-16-21-15-22-26)14-24-10-12-25(13-11-24)18-4-2-1-3-5-18/h1-9,15-16H,10-14H2,(H,23,27)
InChIKey
ZUAVKSQYPBOFKR-UHFFFAOYSA-N
Compound name
2-(4-phenylpiperazin-1-yl)-N-[4-(1,2,4-triazol-1-yl)phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

362.18552 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.192796 185.7
[M+Na]+ 385.174738 189.8
[M-H]- 361.178244 190.9
[M+NH4]+ 380.219343 191.3
[M+K]+ 401.148678 183.1
[M+H-H2O]+ 345.182780 171.7
[M+HCOO]- 407.183721 200.5
[M+CH3COO]- 421.199371 192.8
[M+Na-2H]- 383.160186 187.7
[M]+ 362.18497142 180.6
[M]- 362.18606858 180.6
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.