CID 6482820

Schembl4991478

Structural Information

Molecular Formula
C23H26N4
SMILES
CC1=CC=C(C=C1)N2CCN(CC2)C3=NC(=CN=C3)C4=CC(=CC(=C4)C)C
InChI
InChI=1S/C23H26N4/c1-17-4-6-21(7-5-17)26-8-10-27(11-9-26)23-16-24-15-22(25-23)20-13-18(2)12-19(3)14-20/h4-7,12-16H,8-11H2,1-3H3
InChIKey
IDTWPJMYKCEAHP-UHFFFAOYSA-N
Compound name
2-(3,5-dimethylphenyl)-6-[4-(4-methylphenyl)piperazin-1-yl]pyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

358.21576 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.22304 194.2
[M+Na]+ 381.20498 200.9
[M-H]- 357.20848 200.6
[M+NH4]+ 376.24958 200.6
[M+K]+ 397.17892 192.6
[M+H-H2O]+ 341.21302 180.1
[M+HCOO]- 403.21396 207.7
[M+CH3COO]- 417.22961 201.8
[M+Na-2H]- 379.19043 195.1
[M]+ 358.21521 190.2
[M]- 358.21631 190.2
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