CID 6482856

Schembl4987763

Structural Information

Molecular Formula
C27H26N4O2
SMILES
CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C3=NC(=CN=C3)C4=CC5=C(C=C4)C=C(C=C5)OC
InChI
InChI=1S/C27H26N4O2/c1-19(32)20-5-8-24(9-6-20)30-11-13-31(14-12-30)27-18-28-17-26(29-27)23-4-3-22-16-25(33-2)10-7-21(22)15-23/h3-10,15-18H,11-14H2,1-2H3
InChIKey
VMWDEKDSNIVJGF-UHFFFAOYSA-N
Compound name
1-[4-[4-[6-(6-methoxynaphthalen-2-yl)pyrazin-2-yl]piperazin-1-yl]phenyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

438.20557 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 439.21285 212.2
[M+Na]+ 461.19479 217.5
[M-H]- 437.19829 218.9
[M+NH4]+ 456.23939 215.2
[M+K]+ 477.16873 209.3
[M+H-H2O]+ 421.20283 196.6
[M+HCOO]- 483.20377 223.1
[M+CH3COO]- 497.21942 217.8
[M+Na-2H]- 459.18024 212.9
[M]+ 438.20502 209.1
[M]- 438.20612 209.1
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.