CID 6482728

Schembl4994785

Structural Information

Molecular Formula
C24H21ClN4
SMILES
C1CN(CCN1C2=CC(=CC=C2)Cl)C3=NC(=CN=C3)C4=CC5=CC=CC=C5C=C4
InChI
InChI=1S/C24H21ClN4/c25-21-6-3-7-22(15-21)28-10-12-29(13-11-28)24-17-26-16-23(27-24)20-9-8-18-4-1-2-5-19(18)14-20/h1-9,14-17H,10-13H2
InChIKey
NLJFHIRHXOJMJM-UHFFFAOYSA-N
Compound name
2-[4-(3-chlorophenyl)piperazin-1-yl]-6-naphthalen-2-ylpyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

400.14548 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.15276 199.5
[M+Na]+ 423.13470 206.5
[M-H]- 399.13820 205.6
[M+NH4]+ 418.17930 205.1
[M+K]+ 439.10864 196.3
[M+H-H2O]+ 383.14274 184.1
[M+HCOO]- 445.14368 207.3
[M+CH3COO]- 459.15933 206.1
[M+Na-2H]- 421.12015 202.8
[M]+ 400.14493 196.0
[M]- 400.14603 196.0
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.