CID 6482866

Schembl4987417

Structural Information

Molecular Formula
C23H26N4O2
SMILES
CC1=CC(=CC=C1)C2=CN=CC(=N2)N3CCN(CC3)C4=CC(=C(C=C4)OC)OC
InChI
InChI=1S/C23H26N4O2/c1-17-5-4-6-18(13-17)20-15-24-16-23(25-20)27-11-9-26(10-12-27)19-7-8-21(28-2)22(14-19)29-3/h4-8,13-16H,9-12H2,1-3H3
InChIKey
KCALOCOLTPBJSN-UHFFFAOYSA-N
Compound name
2-[4-(3,4-dimethoxyphenyl)piperazin-1-yl]-6-(3-methylphenyl)pyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

390.20557 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.21285 200.1
[M+Na]+ 413.19479 206.3
[M-H]- 389.19829 206.6
[M+NH4]+ 408.23939 205.0
[M+K]+ 429.16873 199.5
[M+H-H2O]+ 373.20283 185.6
[M+HCOO]- 435.20377 213.9
[M+CH3COO]- 449.21942 207.4
[M+Na-2H]- 411.18024 201.2
[M]+ 390.20502 198.7
[M]- 390.20612 198.7
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