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]+ 363.19280 185.7
[M+Na]+ 385.17474 189.8
[M-H]- 361.17824 190.9
[M+NH4]+ 380.21934 191.3
[M+K]+ 401.14868 183.1
[M+H-H2O]+ 345.18278 171.7
[M+HCOO]- 407.18372 200.5
[M+CH3COO]- 421.19937 192.8
[M+Na-2H]- 383.16019 187.7
[M]+ 362.18497 180.6
[M]- 362.18607 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.