CID 6482819

Schembl4992090

Structural Information

Molecular Formula
C23H27N5
SMILES
CC1=CC=C(C=C1)N2CCN(CC2)C3=NC(=CN=C3)C4=CC=C(C=C4)N(C)C
InChI
InChI=1S/C23H27N5/c1-18-4-8-21(9-5-18)27-12-14-28(15-13-27)23-17-24-16-22(25-23)19-6-10-20(11-7-19)26(2)3/h4-11,16-17H,12-15H2,1-3H3
InChIKey
UZIGSQLMEPKCIS-UHFFFAOYSA-N
Compound name
N,N-dimethyl-4-[6-[4-(4-methylphenyl)piperazin-1-yl]pyrazin-2-yl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

373.22665 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.23393 195.7
[M+Na]+ 396.21587 200.7
[M-H]- 372.21937 203.1
[M+NH4]+ 391.26047 201.5
[M+K]+ 412.18981 193.7
[M+H-H2O]+ 356.22391 181.1
[M+HCOO]- 418.22485 210.8
[M+CH3COO]- 432.24050 203.1
[M+Na-2H]- 394.20132 197.7
[M]+ 373.22610 191.9
[M]- 373.22720 191.9
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.