CID 6483146

Schembl5000611

Structural Information

Molecular Formula
C22H20N6
SMILES
C1CN(CCN1C2=NC=CN=C2)C3=NC(=CN=C3)C4=CC=CC5=CC=CC=C54
InChI
InChI=1S/C22H20N6/c1-2-6-18-17(4-1)5-3-7-19(18)20-14-24-16-22(26-20)28-12-10-27(11-13-28)21-15-23-8-9-25-21/h1-9,14-16H,10-13H2
InChIKey
PVLYTDKIONMPGE-UHFFFAOYSA-N
Compound name
2-naphthalen-1-yl-6-(4-pyrazin-2-ylpiperazin-1-yl)pyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

368.17496 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.18224 194.0
[M+Na]+ 391.16418 200.4
[M-H]- 367.16768 197.7
[M+NH4]+ 386.20878 197.0
[M+K]+ 407.13812 190.5
[M+H-H2O]+ 351.17222 177.7
[M+HCOO]- 413.17316 204.2
[M+CH3COO]- 427.18881 199.9
[M+Na-2H]- 389.14963 199.8
[M]+ 368.17441 188.0
[M]- 368.17551 188.0
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