CID 6482734

Schembl5000713

Structural Information

Molecular Formula
C22H24N4O
SMILES
CC1=CC=CC=C1C2=CN=CC(=N2)N3CCN(CC3)C4=CC=CC=C4OC
InChI
InChI=1S/C22H24N4O/c1-17-7-3-4-8-18(17)19-15-23-16-22(24-19)26-13-11-25(12-14-26)20-9-5-6-10-21(20)27-2/h3-10,15-16H,11-14H2,1-2H3
InChIKey
SFFIXSGESUVKQV-UHFFFAOYSA-N
Compound name
2-[4-(2-methoxyphenyl)piperazin-1-yl]-6-(2-methylphenyl)pyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

360.195 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.20228 192.1
[M+Na]+ 383.18422 198.1
[M-H]- 359.18772 198.3
[M+NH4]+ 378.22882 198.0
[M+K]+ 399.15816 190.7
[M+H-H2O]+ 343.19226 177.7
[M+HCOO]- 405.19320 206.1
[M+CH3COO]- 419.20885 199.6
[M+Na-2H]- 381.16967 194.4
[M]+ 360.19445 188.6
[M]- 360.19555 188.6
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