CID 6482847

Schembl4997072

Structural Information

Molecular Formula
C26H30N4O
SMILES
CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C3=NC(=CN=C3)C4=CC=C(C=C4)C(C)(C)C
InChI
InChI=1S/C26H30N4O/c1-19(31)20-7-11-23(12-8-20)29-13-15-30(16-14-29)25-18-27-17-24(28-25)21-5-9-22(10-6-21)26(2,3)4/h5-12,17-18H,13-16H2,1-4H3
InChIKey
LFJUAXHNUAYLJH-UHFFFAOYSA-N
Compound name
1-[4-[4-[6-(4-tert-butylphenyl)pyrazin-2-yl]piperazin-1-yl]phenyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

414.24197 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.24925 207.9
[M+Na]+ 437.23119 212.4
[M-H]- 413.23469 213.9
[M+NH4]+ 432.27579 211.5
[M+K]+ 453.20513 204.9
[M+H-H2O]+ 397.23923 193.8
[M+HCOO]- 459.24017 218.1
[M+CH3COO]- 473.25582 213.9
[M+Na-2H]- 435.21664 208.1
[M]+ 414.24142 203.9
[M]- 414.24252 203.9
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

patents stripe