CID 6482665

Schembl5000651

Structural Information

Molecular Formula
C21H24N6
SMILES
CN(C)C1=CC=CC(=C1)C2=CN=CC(=N2)N3CCN(CC3)C4=CC=NC=C4
InChI
InChI=1S/C21H24N6/c1-25(2)19-5-3-4-17(14-19)20-15-23-16-21(24-20)27-12-10-26(11-13-27)18-6-8-22-9-7-18/h3-9,14-16H,10-13H2,1-2H3
InChIKey
LBZAVNRGDQTKFH-UHFFFAOYSA-N
Compound name
N,N-dimethyl-3-[6-(4-pyridin-4-ylpiperazin-1-yl)pyrazin-2-yl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

360.20624 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.21352 190.7
[M+Na]+ 383.19546 195.7
[M-H]- 359.19896 196.6
[M+NH4]+ 378.24006 195.3
[M+K]+ 399.16940 188.6
[M+H-H2O]+ 343.20350 175.5
[M+HCOO]- 405.20444 205.0
[M+CH3COO]- 419.22009 197.8
[M+Na-2H]- 381.18091 194.7
[M]+ 360.20569 186.3
[M]- 360.20679 186.3
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