CID 6482833

Schembl4994841

Structural Information

Molecular Formula
C22H25N5
SMILES
CN(C)C1=CC=C(C=C1)C2=CN=CC(=N2)N3CCN(CC3)C4=CC=CC=C4
InChI
InChI=1S/C22H25N5/c1-25(2)19-10-8-18(9-11-19)21-16-23-17-22(24-21)27-14-12-26(13-15-27)20-6-4-3-5-7-20/h3-11,16-17H,12-15H2,1-2H3
InChIKey
NMTRNJQPVPOBTM-UHFFFAOYSA-N
Compound name
N,N-dimethyl-4-[6-(4-phenylpiperazin-1-yl)pyrazin-2-yl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

359.211 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.21828 190.3
[M+Na]+ 382.20022 194.8
[M-H]- 358.20372 197.5
[M+NH4]+ 377.24482 196.3
[M+K]+ 398.17416 188.0
[M+H-H2O]+ 342.20826 175.7
[M+HCOO]- 404.20920 205.8
[M+CH3COO]- 418.22485 197.8
[M+Na-2H]- 380.18567 193.7
[M]+ 359.21045 185.8
[M]- 359.21155 185.8
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