CID 6483171

Schembl5003424

Structural Information

Molecular Formula
C22H23Cl2N5
SMILES
CN(C)C1=CC=C(C=C1)C2=CN=CC(=N2)N3CCN(CC3)C4=CC(=C(C=C4)Cl)Cl
InChI
InChI=1S/C22H23Cl2N5/c1-27(2)17-5-3-16(4-6-17)21-14-25-15-22(26-21)29-11-9-28(10-12-29)18-7-8-19(23)20(24)13-18/h3-8,13-15H,9-12H2,1-2H3
InChIKey
ZBYULHVBVLDVAW-UHFFFAOYSA-N
Compound name
4-[6-[4-(3,4-dichlorophenyl)piperazin-1-yl]pyrazin-2-yl]-N,N-dimethylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

427.13306 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 428.14034 202.3
[M+Na]+ 450.12228 209.4
[M-H]- 426.12578 208.6
[M+NH4]+ 445.16688 207.5
[M+K]+ 466.09622 200.9
[M+H-H2O]+ 410.13032 187.8
[M+HCOO]- 472.13126 207.8
[M+CH3COO]- 486.14691 209.0
[M+Na-2H]- 448.10773 202.6
[M]+ 427.13251 202.3
[M]- 427.13361 202.3
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