CID 6482934

Schembl4994760

Structural Information

Molecular Formula
C22H21N5O
SMILES
COC1=CC=C(C=C1)N2CCN(CC2)C3=NC(=CN=C3)C4=CC=C(C=C4)C#N
InChI
InChI=1S/C22H21N5O/c1-28-20-8-6-19(7-9-20)26-10-12-27(13-11-26)22-16-24-15-21(25-22)18-4-2-17(14-23)3-5-18/h2-9,15-16H,10-13H2,1H3
InChIKey
COMCVTWGSUFCQV-UHFFFAOYSA-N
Compound name
4-[6-[4-(4-methoxyphenyl)piperazin-1-yl]pyrazin-2-yl]benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

371.17462 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.18190 188.7
[M+Na]+ 394.16384 196.3
[M-H]- 370.16734 191.3
[M+NH4]+ 389.20844 192.5
[M+K]+ 410.13778 186.8
[M+H-H2O]+ 354.17188 167.9
[M+HCOO]- 416.17282 199.1
[M+CH3COO]- 430.18847 194.2
[M+Na-2H]- 392.14929 190.4
[M]+ 371.17407 179.5
[M]- 371.17517 179.5
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

No patent data available for this compound.