CID 6482858

Schembl5003303

Structural Information

Molecular Formula
C28H26N4O2
SMILES
CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C3=NC(=CN=C3)C4=CC=CC=C4OC5=CC=CC=C5
InChI
InChI=1S/C28H26N4O2/c1-21(33)22-11-13-23(14-12-22)31-15-17-32(18-16-31)28-20-29-19-26(30-28)25-9-5-6-10-27(25)34-24-7-3-2-4-8-24/h2-14,19-20H,15-18H2,1H3
InChIKey
FFBPKKIYTXMXCU-UHFFFAOYSA-N
Compound name
1-[4-[4-[6-(2-phenoxyphenyl)pyrazin-2-yl]piperazin-1-yl]phenyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

450.20557 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 451.21285 213.5
[M+Na]+ 473.19479 217.3
[M-H]- 449.19829 221.8
[M+NH4]+ 468.23939 214.3
[M+K]+ 489.16873 208.9
[M+H-H2O]+ 433.20283 197.0
[M+HCOO]- 495.20377 225.5
[M+CH3COO]- 509.21942 218.7
[M+Na-2H]- 471.18024 214.0
[M]+ 450.20502 208.8
[M]- 450.20612 208.8
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.