CID 6482711

Schembl5003288

Structural Information

Molecular Formula
C21H20N6
SMILES
C1CN(CCN1C2=CC=CC3=C2C=CN3)C4=NC(=CN=C4)C5=CN=CC=C5
InChI
InChI=1S/C21H20N6/c1-4-18-17(6-8-24-18)20(5-1)26-9-11-27(12-10-26)21-15-23-14-19(25-21)16-3-2-7-22-13-16/h1-8,13-15,24H,9-12H2
InChIKey
MCIBRGUWNIMIJI-UHFFFAOYSA-N
Compound name
4-[4-(6-pyridin-3-ylpyrazin-2-yl)piperazin-1-yl]-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

356.17496 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.18224 186.7
[M+Na]+ 379.16418 194.2
[M-H]- 355.16768 190.6
[M+NH4]+ 374.20878 192.0
[M+K]+ 395.13812 184.3
[M+H-H2O]+ 339.17222 172.3
[M+HCOO]- 401.17316 198.6
[M+CH3COO]- 415.18881 193.8
[M+Na-2H]- 377.14963 190.4
[M]+ 356.17441 181.6
[M]- 356.17551 181.6
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