CID 208780

Brn 0935956

Structural Information

Molecular Formula
C17H22N6O
SMILES
C1CN(CCN1CCNC(=O)C2=CC=C(C=C2)N)C3=NC=CN=C3
InChI
InChI=1S/C17H22N6O/c18-15-3-1-14(2-4-15)17(24)21-7-8-22-9-11-23(12-10-22)16-13-19-5-6-20-16/h1-6,13H,7-12,18H2,(H,21,24)
InChIKey
BQNKKDBQYJPEII-UHFFFAOYSA-N
Compound name
4-amino-N-[2-(4-pyrazin-2-ylpiperazin-1-yl)ethyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.18552 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.19280 178.1
[M+Na]+ 349.17474 189.7
[M+NH4]+ 344.21934 183.6
[M+K]+ 365.14868 183.3
[M-H]- 325.17824 182.3
[M+Na-2H]- 347.16019 186.2
[M]+ 326.18497 180.5
[M]- 326.18607 180.5
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.