CID 6482872

Schembl4997507

Structural Information

Molecular Formula
C25H24N4
SMILES
CC1=CC=C(C=C1)N2CCN(CC2)C3=NC(=CN=C3)C4=CC=CC5=CC=CC=C54
InChI
InChI=1S/C25H24N4/c1-19-9-11-21(12-10-19)28-13-15-29(16-14-28)25-18-26-17-24(27-25)23-8-4-6-20-5-2-3-7-22(20)23/h2-12,17-18H,13-16H2,1H3
InChIKey
YNEKPCJUWQZNRF-UHFFFAOYSA-N
Compound name
2-[4-(4-methylphenyl)piperazin-1-yl]-6-naphthalen-1-ylpyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

380.2001 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.20738 198.4
[M+Na]+ 403.18932 204.3
[M-H]- 379.19282 204.8
[M+NH4]+ 398.23392 204.0
[M+K]+ 419.16326 194.8
[M+H-H2O]+ 363.19736 183.0
[M+HCOO]- 425.19830 210.5
[M+CH3COO]- 439.21395 205.0
[M+Na-2H]- 401.17477 201.7
[M]+ 380.19955 192.8
[M]- 380.20065 192.8
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